Call +1 (833) 552-7181 or Contact us Earn $25 in coupons on your first order with Aladdin!
Toggle Nav
My Cart
Search
Advanced Search
Menu
Sign In
྾

(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,63S,66S)-33-((1H-imidazol-5-yl)methyl)-1-amino-66-((S)-1-((6S,9S,12S,15S)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((2S,3S)-2-amino-3-methylpentanamido)hexanoyl)pyrrolidine-2-carboxamido)-4-carboxybutanamido)propanoyl)pyrrolidin-2-yl)-6-(2-carboxyethyl)-9-(carboxymethyl)-15-(hydroxymethyl)-12-methyl-1,4,7,10,13-pentaoxo-2,5,8,11,14-pentaazahexadecane)pyrrolidine-2-carboxamido)-24,57-bis(2-amino-2-oxoethyl)-6-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-ylcarbamoyl)-9-(3-amino-3-oxopropyl)-63-(2-carboxyethyl)-12,36,54-tris(3-guanidinopropyl)-30,48,51-tris(4-hydroxybenzyl)-15-((R)-1-hydroxyethyl)-42-(hydroxymethyl)-1-imino-27,39,60-triisobutyl-18-isopropyl-21,45-dimethyl-8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65-icosaoxo-16-oxa-2,7,10,13,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64-icosaazanonahexacontan-69-oic acid

main product photo

ID: ALA3099726

Max Phase: Preclinical

Molecular Formula: C177H272N52O55

Molecular Weight: 4008.43

Molecule Type: Unknown

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C

Standard InChI:  InChI=1S/C177H272N52O55/c1-16-88(10)138(182)168(278)212-112(26-17-18-60-178)171(281)228-66-24-32-127(228)166(276)209-109(52-57-134(243)244)145(255)202-92(14)170(280)227-65-23-31-126(227)165(275)197-80-132(240)203-107(51-56-133(241)242)150(260)223-123(78-137(249)250)156(266)200-90(12)143(253)225-125(82-231)172(282)229-67-25-33-128(229)167(277)210-111(54-59-136(247)248)152(262)208-110(53-58-135(245)246)153(263)214-115(69-85(4)5)158(268)222-122(77-131(181)239)163(273)206-104(28-20-62-194-175(186)187)148(258)217-118(73-96-38-46-101(235)47-39-96)161(271)218-117(72-95-36-44-100(234)45-37-95)154(264)199-89(11)142(252)224-124(81-230)164(274)216-114(68-84(2)3)157(267)205-105(29-21-63-195-176(188)189)149(259)220-120(75-98-79-192-83-198-98)162(272)219-119(74-97-40-48-102(236)49-41-97)160(270)215-116(70-86(6)7)159(269)221-121(76-130(180)238)155(265)201-91(13)144(254)226-139(87(8)9)173(283)284-140(93(15)232)169(279)211-106(30-22-64-196-177(190)191)146(256)207-108(50-55-129(179)237)151(261)204-103(27-19-61-193-174(184)185)147(257)213-113(141(183)251)71-94-34-42-99(233)43-35-94/h34-49,79,83-93,103-128,138-140,230-236H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,239)(H2,183,251)(H,192,198)(H,197,275)(H,199,264)(H,200,266)(H,201,265)(H,202,255)(H,203,240)(H,204,261)(H,205,267)(H,206,273)(H,207,256)(H,208,262)(H,209,276)(H,210,277)(H,211,279)(H,212,278)(H,213,257)(H,214,263)(H,215,270)(H,216,274)(H,217,258)(H,218,271)(H,219,272)(H,220,259)(H,221,269)(H,222,268)(H,223,260)(H,224,252)(H,225,253)(H,226,254)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1

Standard InChI Key:  QZTVFBHMNIFCEQ-NGUHXVKZSA-N

Molfile:  

     RDKit          2D

284291  0  0  0  0  0  0  0  0999 V2000
  -22.1532  -23.3433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3352  -22.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.7191  -22.8599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.1186  -22.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7387  -21.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.9207  -21.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.9553  -22.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3548  -21.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.3007  -21.5020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -24.0832  -21.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.6647  -19.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.2652  -20.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.6846  -21.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.4672  -21.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0686  -22.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.8511  -21.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.4525  -22.4482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -25.0487  -20.2198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -25.3157  -19.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.0232  -18.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.8404  -18.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.1333  -19.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.7088  -20.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.3789  -20.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.2250  -18.0532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -24.7852  -17.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5922  -18.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.9729  -17.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.1739  -16.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.7381  -15.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.1178  -15.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.9392  -15.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.6780  -14.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5321  -16.6972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7117  -16.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.6646  -15.3087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3311  -17.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2840  -16.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4627  -16.0672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.9518  -15.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.9639  -14.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1805  -14.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1877  -15.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0029  -16.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2166  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5800  -14.0743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7620  -13.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3781  -12.9601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1606  -12.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3426  -11.9217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7421  -11.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7067  -10.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9242  -10.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9506  -11.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3541  -11.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5707  -11.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3887  -12.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9702  -10.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3147  -10.0069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4967   -9.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1168   -8.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9002   -8.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2882   -8.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4703   -8.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.2528   -7.9278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.8608   -7.6106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0823   -7.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4809   -7.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4474   -6.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6983   -7.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6635   -6.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0635   -5.9334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2446   -5.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8266   -3.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6436   -4.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0276   -4.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2105   -4.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8606   -4.8233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2089   -4.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9123   -3.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2219   -3.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5424   -4.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6025   -5.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7761   -5.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4950   -3.1305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7975   -3.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0422   -2.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0787   -3.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8399   -4.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1415   -4.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1700   -5.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4716   -6.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8961   -6.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3861   -3.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6593   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0001   -4.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9698   -3.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6268   -2.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9008   -2.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8723   -1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1454   -0.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5680   -0.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2429   -3.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5464   -3.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7910   -2.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8204   -3.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5789   -4.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8891   -4.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9180   -5.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1625   -4.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1341   -3.7814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4072   -3.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7380   -4.6563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7106   -3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3747   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6478   -2.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6193   -1.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9562   -2.6262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3844   -6.3461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4133   -7.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7276   -7.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1399   -7.5465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9847   -3.4464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2937   -3.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5389   -2.6861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5674   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3266   -4.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6288   -5.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6577   -5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8733   -3.9454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1556   -3.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4867   -4.8160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4578   -3.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1244   -2.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032   -2.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3976   -2.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3673   -1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6422   -1.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9438   -1.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9763   -2.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -1.2127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7311   -3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423   -4.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2867   -2.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3156   -3.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752   -4.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -4.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3775   -5.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4063   -6.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7086   -6.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147   -6.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436   -5.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7086   -6.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219   -4.1052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1098   -3.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7706   -4.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430   -2.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7995   -4.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5256   -3.7754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229   -4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9779   -3.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9405   -3.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940   -5.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679   -5.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -4.2649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3606   -3.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0205   -5.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0578   -4.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3937   -3.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198   -2.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487   -1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8053   -3.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3827   -6.8275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3538   -7.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0384   -8.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6277   -8.0278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7764   -3.9351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4736   -4.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2340   -3.1705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1997   -3.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4447   -5.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377   -5.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1004   -6.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8936   -4.4270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129   -4.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2780   -5.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3079   -4.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6467   -3.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1041   -3.2038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6751   -2.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2935   -1.8912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4864   -2.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3715   -2.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0327   -4.0969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267   -4.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4814   -3.3297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4516   -4.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6969   -5.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1127   -5.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3879   -5.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3580   -6.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0530   -7.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7778   -6.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8077   -5.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4679   -7.0943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1465   -4.5853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8673   -4.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5316   -5.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5614   -4.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9012   -3.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6251   -2.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6549   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3161   -3.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2862   -4.2561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9812   -4.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7359   -3.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7060   -4.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9514   -5.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6423   -5.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6116   -6.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3662   -5.5641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4001   -4.7446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1249   -4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7860   -5.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8159   -4.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1547   -3.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5398   -4.4154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2348   -4.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9894   -3.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9596   -4.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2049   -5.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6546   -4.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3785   -4.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0396   -5.7787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0694   -4.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4083   -3.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7142   -3.2707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1331   -3.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8146   -7.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7847   -8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0599   -8.7238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4757   -8.7802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7942   -4.5786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4892   -5.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2430   -3.8115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2131   -4.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4594   -5.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1494   -6.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1196   -7.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9081   -5.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6329   -4.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2931   -5.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3230   -5.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6628   -3.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9678   -3.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9976   -2.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3067   -2.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7224   -2.2298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0681   -7.6829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0383   -8.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3135   -8.8830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.7293   -8.9394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0478   -4.7378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7428   -5.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4974   -3.9747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4676   -4.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7129   -5.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4039   -6.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3741   -7.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1617   -5.2263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8865   -4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5476   -6.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5774   -5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9163   -4.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3361   -4.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6411   -3.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6710   -2.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3958   -2.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0899   -2.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0600   -3.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8147   -2.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3023   -4.9011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4828   -6.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8973   -6.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0
 12 18  1  0
 21 25  1  0
 28 34  1  0
 38 39  1  0
 42 46  1  0
 49 50  1  0
 53 59  1  0
 62 67  1  0
 71 72  1  0
 75 78  1  0
 81 85  1  0
 88 94  1  0
 97103  1  0
106111  1  0
114123  1  0
126130  1  0
133142  1  0
145154  1  0
158159  1  0
162165  1  0
168177  1  0
180184  1  0
187194  1  0
197206  1  0
209214  1  0
217222  1  0
225227  1  0
230232  1  0
235243  1  0
246250  1  0
253263  1  0
266270  1  0
273282  1  0
  2  1  1  6
  2  4  1  0
  4  3  2  0
  2  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
 10  9  1  1
 10 12  1  0
 12 11  2  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 18 19  1  0
 19 21  1  1
 21 20  2  0
 19 22  1  0
 23 24  1  0
 24 22  1  0
 23 18  1  0
 26 25  1  1
 26 28  1  0
 28 27  2  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 34 35  1  0
 35 38  1  0
 38 36  2  0
 35 37  1  6
 39 40  1  0
 40 42  1  6
 42 41  2  0
 40 43  1  0
 44 45  1  0
 45 43  1  0
 44 39  1  0
 46 47  1  0
 47 49  1  0
 49 48  2  0
 50 51  1  0
 51 53  1  0
 53 52  2  0
 51 54  1  6
 54 55  1  0
 55 56  1  0
 56 57  2  0
 56 58  1  0
 59 60  1  0
 60 62  1  0
 62 61  2  0
 60 63  1  1
 63 64  1  0
 64 65  2  0
 64 66  1  0
 67 68  1  0
 68 71  1  0
 71 69  2  0
 68 70  1  6
 72 73  1  0
 73 75  1  0
 75 74  2  0
 73 76  1  1
 76 77  1  0
 78 79  1  0
 79 81  1  6
 81 80  2  0
 79 82  1  0
 83 84  1  0
 84 82  1  0
 83 78  1  0
 86 85  1  6
 86 88  1  0
 88 87  2  0
 86 89  1  0
 89 90  1  0
 90 91  1  0
 91 92  2  0
 91 93  1  0
 95 94  1  1
 95 97  1  0
 97 96  2  0
 95 98  1  0
 98 99  1  0
 99100  1  0
100101  2  0
100102  1  0
104103  1  6
104106  1  0
106105  2  0
104107  1  0
107108  1  0
108109  1  0
108110  1  0
112111  1  1
112114  1  0
114113  2  0
112115  1  0
115116  1  0
116117  2  0
116118  1  0
119120  1  0
120121  1  0
120122  2  0
124123  1  6
124126  1  0
126125  2  0
124127  1  0
127128  1  0
128129  1  0
129119  1  0
131130  1  1
131133  1  0
133132  2  0
131134  1  0
134136  1  0
135136  2  0
136137  1  0
137138  2  0
138139  1  0
139140  2  0
140135  1  0
139141  1  0
143142  1  6
143145  1  0
145144  2  0
143146  1  0
146148  1  0
147148  2  0
148149  1  0
149150  2  0
150151  1  0
151152  2  0
152147  1  0
151153  1  0
154155  1  0
155158  1  0
158156  2  0
155157  1  1
160159  1  6
160162  1  0
162161  2  0
160163  1  0
163164  1  0
166165  1  1
166168  1  0
168167  2  0
166169  1  0
169170  1  0
170171  1  0
170172  1  0
173174  1  0
174175  1  0
174176  2  0
178177  1  6
178180  1  0
180179  2  0
178181  1  0
181182  1  0
182183  1  0
183173  1  0
185184  1  1
185187  1  0
187186  2  0
185188  1  0
188193  1  0
189190  1  0
190191  2  0
191192  1  0
192193  2  0
193189  1  0
195194  1  6
195197  1  0
197196  2  0
195198  1  0
198200  1  0
199200  2  0
200201  1  0
201202  2  0
202203  1  0
203204  2  0
204199  1  0
203205  1  0
207206  1  1
207209  1  0
209208  2  0
207210  1  0
210211  1  0
211212  1  0
211213  1  0
215214  1  6
215217  1  0
217216  2  0
215218  1  0
218219  1  0
219220  2  0
219221  1  0
223222  1  1
223225  1  0
225224  2  0
223226  1  0
228227  1  6
228230  1  0
230229  2  0
228231  1  0
233232  1  1
233235  1  0
235234  2  0
233236  1  0
236237  1  6
236238  1  0
239240  1  0
240241  1  0
240242  2  0
244243  1  6
244246  1  0
246245  2  0
244247  1  0
247248  1  0
248249  1  0
249239  1  0
251250  1  1
251253  1  0
253252  2  0
251254  1  0
254255  1  0
255256  1  0
256257  2  0
256258  1  0
259260  1  0
260261  1  0
260262  2  0
264263  1  6
264266  1  0
266265  2  0
264267  1  0
267268  1  0
268269  1  0
269259  1  0
271270  1  1
271273  1  0
273272  2  0
271274  1  0
274276  1  0
275276  2  0
276277  1  0
277278  2  0
278279  1  0
279280  2  0
280275  1  0
279281  1  0
231283  1  0
231284  1  0
M  END

Alternative Forms

  1. Parent:

    ALA3099726

    ---

Associated Targets(Human)

NPY5R Tchem Neuropeptide Y receptor type 5 (1834 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPY4R Tchem Neuropeptide Y receptor type 4 (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPY2R Tchem Neuropeptide Y receptor type 2 (3731 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPY1R Tchem Neuropeptide Y receptor type 1 (5019 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 4008.43Molecular Weight (Monoisotopic): 4006.0086AlogP: ┄#Rotatable Bonds: ┄
Polar Surface Area: ┄Molecular Species: ┄HBA: ┄HBD: ┄
#RO5 Violations: ┄HBA (Lipinski): ┄HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: ┄CX LogD: ┄
Aromatic Rings: ┄Heavy Atoms: ┄QED Weighted: ┄Np Likeness Score: ┄

References

1. Albertsen L, Andersen JJ, Paulsson JF, Thomsen JK, Norrild JC, Strømgaard K..  (2013)  Design and Synthesis of Peptide YY Analogues with C-terminal Backbone Amide-to-Ester Modifications.,  4  (12): [PMID:24900634] [10.1021/ml400335g]

Source

Source(1):

🔙[Back to Compounds]
Privacy Policy Website Terms of Use Return policy Terms and Conditions of Sale Cookie Policy Sales Policy
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2023-present Aladdin Scientific Corp . All rights reserved.