(3S,6S,9S,12S)-1-((S)-1-((3S,6S,9S,15S,21S)-1-((3R,8R,14S,20S,23S,26S,31aS)-23-((1H-imidazol-5-yl)methyl)-8-amino-20-benzyl-26-isopropyl-14-methyl-1,9,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20,23,26]dithiaoctaazacyclononacosin-3-yl)-6-benzyl-15-(3-guanidinopropyl)-3-(4-hydroxybenzyl)-21-((R)-1-hydroxyethyl)-9-isopropyl-1,4,7,10,13,16,19-heptaoxo-2,5,8,11,14,17,20-heptaazadocosane)pyrrolidin-2-yl)-9-benzyl-3-sec-butyl-12-(4-hydroxybenzyl)-6-(hydroxymethyl)-1,4,7,10,13-pentaoxo-2,5,8,11,14-pentaazahexadecan-16-oic acid

ID: ALA1945786

PubChem CID: 57397931

Max Phase: Preclinical

Molecular Formula: C109H149N27O27S2

Molecular Weight: 2333.69

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

Standard InChI:  InChI=1S/C109H149N27O27S2/c1-9-60(6)90(106(161)129-79(54-137)101(156)126-75(43-64-24-15-11-16-25-64)97(152)124-73(95(150)119-53-87(145)146)45-66-31-35-69(139)36-32-66)134-104(159)82-30-21-41-136(82)108(163)91(62(8)138)131-86(144)52-117-94(149)72(28-19-39-114-109(111)112)122-84(142)51-118-105(160)88(58(2)3)132-99(154)77(44-65-26-17-12-18-27-65)125-98(153)76(46-67-33-37-70(140)38-34-67)127-102(157)80-56-165-164-55-71(110)93(148)116-49-83(141)121-61(7)92(147)115-50-85(143)123-74(42-63-22-13-10-14-23-63)96(151)128-78(47-68-48-113-57-120-68)100(155)133-89(59(4)5)107(162)135-40-20-29-81(135)103(158)130-80/h10-18,22-27,31-38,48,57-62,71-82,88-91,137-140H,9,19-21,28-30,39-47,49-56,110H2,1-8H3,(H,113,120)(H,115,147)(H,116,148)(H,117,149)(H,118,160)(H,119,150)(H,121,141)(H,122,142)(H,123,143)(H,124,152)(H,125,153)(H,126,156)(H,127,157)(H,128,151)(H,129,161)(H,130,158)(H,131,144)(H,132,154)(H,133,155)(H,134,159)(H,145,146)(H4,111,112,114)/t60-,61-,62+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,88-,89-,90-,91-/m0/s1

Standard InChI Key:  HUVWUIMKNLUHPP-PSUZEBIPSA-N

Molfile:  

     RDKit          2D

166174  0  0  0  0  0  0  0  0999 V2000
    1.9879   -6.1125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7532   -5.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639   -4.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679   -4.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4564   -6.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485   -7.0506    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897   -4.5845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5121   -3.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011   -2.5304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073   -3.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1008   -3.7776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -3.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780   -4.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720   -2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6717   -3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0496   -3.3938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674   -3.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -2.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894   -3.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068   -3.8177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151   -4.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -4.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -5.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9339   -5.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2330   -6.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9529   -5.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6601   -6.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6802   -7.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9762   -7.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2532   -7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201   -5.8887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8107   -6.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5441   -7.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210   -7.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925   -5.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4956   -7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2658   -7.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890   -6.9176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521   -6.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5396   -6.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1157   -7.5593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292   -8.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2942   -8.4097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -8.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8480   -8.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8670   -9.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575   -8.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5602   -9.6363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2471  -10.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9864   -8.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704   -9.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690  -10.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0397  -10.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802  -11.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758  -10.1164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964   -9.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891  -10.9742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051  -10.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150   -8.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1398   -8.4970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -9.7468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5338  -10.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2703   -8.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2585   -9.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5152  -10.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2059  -12.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217  -11.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338  -11.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427  -11.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6323  -12.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9150  -12.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3415  -12.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9614  -10.2018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6794   -9.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759  -11.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871  -10.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6986   -8.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4375   -7.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4166   -8.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1407   -9.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8553   -8.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687   -7.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1562   -7.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1172   -9.8309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8161  -10.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5559   -9.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5455   -9.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8050  -11.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5046  -11.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790  -11.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2444  -10.2813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9745   -9.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6630  -11.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6768  -10.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4908  -12.8425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4717  -13.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7537  -14.0671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1800  -14.0944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4027   -9.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1032  -10.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8463   -9.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8326   -9.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0954  -11.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7943  -11.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7805  -12.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5314  -10.3650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2574   -9.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9526  -11.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9638  -10.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6899   -9.9975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7010   -9.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1334   -9.1967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4270   -8.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0048   -8.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0125   -7.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2712   -9.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4408   -7.9474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0732   -7.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9217   -8.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8269   -7.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0176   -6.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7777   -7.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1266   -6.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4856   -7.2731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2472   -7.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8187   -6.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9096   -7.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3385   -8.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1001   -8.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6798   -8.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7773   -9.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6712   -7.4372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3302   -6.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1828   -8.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0880   -7.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2400   -6.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8990   -5.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7515   -6.7905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4995   -7.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0666   -5.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1645   -6.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6022   -7.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4498   -9.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3624   -8.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0176   -7.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7705   -8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8580   -8.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2058   -9.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9177   -6.9561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.5772   -6.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4320   -7.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3394   -6.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4837   -5.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0694   -4.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1562   -5.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9117   -5.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5678   -4.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4831   -4.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7183   -3.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1537   -3.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0094   -6.2975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.7587   -6.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3305   -5.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4281   -6.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1817   -6.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1137  -10.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  7  1  0
 10 11  1  0
 15 16  1  0
 19 20  1  0
 23 31  1  0
 34 41  1  0
 44 48  1  0
 51 55  1  0
 58 61  1  0
 64 73  1  0
 76 84  1  0
 87 91  1  0
 94 99  1  0
102106  1  0
109110  1  0
113117  1  0
120124  1  0
127132  1  0
135138  1  0
141149  1  0
152161  1  0
164165  1  0
  2  1  1  6
  2  4  1  0
  4  3  2  0
  2  5  1  0
  5  6  1  0
  7  8  1  0
  8 10  1  0
 10  9  2  0
 11 12  1  0
 12 15  1  0
 15 13  2  0
 12 14  1  6
 16 17  1  0
 17 19  1  0
 19 18  2  0
 21 20  1  0
 21 23  1  0
 23 22  2  0
 21 24  1  6
 24 26  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 32 31  1  0
 32 34  1  0
 34 33  2  0
 32 35  1  1
 35 40  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 36  1  0
 42 41  1  0
 42 44  1  0
 44 43  2  0
 42 45  1  6
 45 46  1  0
 45 47  1  0
 48 49  1  0
 49 51  1  0
 51 50  2  0
 49 52  1  0
 53 54  1  0
 54 52  1  0
 53 48  1  0
 55 56  1  0
 56 58  1  1
 58 57  2  0
 56 59  1  0
 59 60  1  0
 62 61  1  6
 62 64  1  0
 64 63  2  0
 62 65  1  0
 65 67  1  0
 66 67  2  0
 67 68  1  0
 68 69  2  0
 69 70  1  0
 70 71  2  0
 71 66  1  0
 70 72  1  0
 74 73  1  1
 74 76  1  0
 76 75  2  0
 74 77  1  0
 77 79  1  0
 78 79  2  0
 79 80  1  0
 80 81  2  0
 81 82  1  0
 82 83  2  0
 83 78  1  0
 85 84  1  6
 85 87  1  0
 87 86  2  0
 85 88  1  0
 88 89  1  0
 88 90  1  0
 91 92  1  0
 92 94  1  0
 94 93  2  0
 95 96  1  0
 96 97  1  0
 96 98  2  0
100 99  1  6
100102  1  0
102101  2  0
100103  1  0
103104  1  0
104105  1  0
105 95  1  0
106107  1  0
107109  1  0
109108  2  0
111110  1  1
111113  1  0
113112  2  0
111114  1  0
114115  1  1
114116  1  0
117118  1  0
118120  1  1
120119  2  0
118121  1  0
122123  1  0
123121  1  0
122117  1  0
125124  1  6
125127  1  0
127126  2  0
125128  1  0
128129  1  1
128130  1  0
130131  1  0
133132  1  1
133135  1  0
135134  2  0
133136  1  0
136137  1  0
139138  1  6
139141  1  0
141140  2  0
139142  1  0
142144  1  0
143144  2  0
144145  1  0
145146  2  0
146147  1  0
147148  2  0
148143  1  0
150149  1  1
150152  1  0
152151  2  0
150153  1  0
153155  1  0
154155  2  0
155156  1  0
156157  2  0
157158  1  0
158159  2  0
159154  1  0
158160  1  0
161162  1  0
162164  1  0
164163  2  0
  6 60  1  0
 49166  1  1
M  END

Alternative Forms

1. Parent:

   

   ALA1945786

   H-Cys(1)-Gly-Ala-Gly-Phe-His-Val-Pro-Cys(1)-Tyr-Phe-Val-Gly-Arg-Gly-Thr-Pro-Ile-Ser-Phe-Tyr-Gly-OH

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 2333.69

Molecular Weight (Monoisotopic): 2332.0558

AlogP: ┄

#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. Soudy R, Wang L, Kaur K..  (2012)  Synthetic peptides derived from the sequence of a lasso peptide microcin J25 show antibacterial activity.,  20  (5): [PMID:22304849] [10.1016/j.bmc.2011.12.061]

Source

Source(1):

• Scientific Literature