Phe-His-Leu-Leu-Arg-Glu-Val-Leu-Glu-Met-Ala-Arg-Ala-Glu-Gln-Leu-Ala-Gln-Gln-Ala-His-Ser-Asn-Arg-Lys-Leu-Met-Glu-Ile-Ile ([DPhe12, NLe21,38,Aib34] h/r CRF12-41)

ID: ALA2370293

PubChem CID: 73354551

Max Phase: Preclinical

Molecular Formula: C171H289N51O47

Molecular Weight: 3811.50

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC

Standard InChI:  InChI=1S/C171H289N51O47/c1-27-31-43-102(200-153(254)112(53-60-129(231)232)208-160(261)119(71-87(13)14)216-166(267)132(89(17)18)219-155(256)113(54-61-130(233)234)206-149(250)107(48-40-66-188-171(182)183)203-159(260)117(69-85(9)10)213-161(262)118(70-86(11)12)214-163(264)123(75-100-78-185-82-191-100)215-162(263)121(73-98-41-34-33-35-42-98)217-168(269)135(97(26)225)222-165(266)120(72-88(15)16)210-142(243)101(173)79-223)144(245)192-93(22)138(239)197-105(46-38-64-186-169(178)179)145(246)193-94(23)139(240)199-111(52-59-128(229)230)152(253)205-110(51-58-127(176)228)154(255)211-115(67-83(5)6)157(258)195-95(24)140(241)198-109(50-57-126(175)227)151(252)204-108(49-56-125(174)226)146(247)194-96(25)141(242)209-122(74-99-77-184-81-190-99)164(265)218-124(80-224)143(244)189-76-92(21)137(238)196-106(47-39-65-187-170(180)181)148(249)201-104(45-36-37-63-172)150(251)212-116(68-84(7)8)158(259)202-103(44-32-28-2)147(248)207-114(55-62-131(235)236)156(257)221-134(91(20)30-4)167(268)220-133(136(177)237)90(19)29-3/h33-35,41-42,77-78,81-97,101-124,132-135,223-225H,27-32,36-40,43-76,79-80,172-173H2,1-26H3,(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,237)(H,184,190)(H,185,191)(H,189,244)(H,192,245)(H,193,246)(H,194,247)(H,195,258)(H,196,238)(H,197,239)(H,198,241)(H,199,240)(H,200,254)(H,201,249)(H,202,259)(H,203,260)(H,204,252)(H,205,253)(H,206,250)(H,207,248)(H,208,261)(H,209,242)(H,210,243)(H,211,255)(H,212,251)(H,213,262)(H,214,264)(H,215,263)(H,216,267)(H,217,269)(H,218,265)(H,219,256)(H,220,268)(H,221,257)(H,222,266)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t90-,91-,92-,93-,94-,95-,96-,97+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,123-,124-,132-,133-,134-,135-/m0/s1

Standard InChI Key:  IVCGWJGWJPOBFS-BNDCMTEUSA-N

Molfile:  

     RDKit          2D

269271  0  0  1  0  0  0  0  0999 V2000
   -1.3518   -0.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6386    0.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1621  -51.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3518   -1.1196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2027  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4489  -52.3182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895   -8.9692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8753  -50.6678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650   -1.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8753  -49.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763   -8.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824   -3.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5935  -40.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7374  -36.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920    0.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -2.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4663  -27.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9160  -12.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407   -4.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0192  -46.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7531  -25.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0283  -32.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3424  -13.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3266  -23.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6019  -30.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7415  -34.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4498  -44.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8928  -28.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6175  -21.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4779  -17.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3059  -48.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0515  -15.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1629  -42.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0672   -6.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1911  -19.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7374  -37.0544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6386    0.9454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2027  -11.0342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7879    0.1161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7824   -2.7699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0241  -37.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1621  -51.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4547  -34.9893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2143   -1.5343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276   -3.5993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7531  -25.9041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7365  -44.8915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895   -9.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291  -12.6887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5927  -48.6070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8886  -29.6195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0631   -7.3147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3150  -31.2740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0399  -23.8391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6135  -22.1846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8804  -41.1803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1795  -27.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0192  -46.9565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   -5.2538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7647  -16.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0283  -33.3390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9044  -20.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1629  -43.2412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382  -14.7496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4779  -18.4691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0241  -38.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4506  -35.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011   -0.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4489  -53.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0788    1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650   -2.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9160  -11.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4663  -26.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7365  -45.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407   -4.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2143   -2.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5743  -38.3108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290    2.1977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3350  -15.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -6.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4547  -42.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1621  -53.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5935  -39.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4956   -4.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1638  -37.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185    0.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5927  -49.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7763   -7.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3266  -22.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0399  -24.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3150  -32.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6250  -13.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6019  -30.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1679  -36.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2185    0.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3068  -38.7048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508    1.4140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4962  -37.5230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9002  -20.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7647  -17.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7415  -33.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754  -28.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4498  -43.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3059  -47.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8804  -42.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0515  -15.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1911  -18.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   -6.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038    2.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7492  -38.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8960  -25.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1713  -32.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0325  -28.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -6.1453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0229  -42.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3350  -15.3342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7365  -49.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4812  -13.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7572  -20.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2069   -6.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8314  -37.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0664   -0.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7343  -52.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7750   -9.8815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3068  -39.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6373   -1.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1657  -41.0973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101   -3.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3073  -49.5151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2041   -8.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4510  -45.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3437  -12.6016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1651  -35.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8940  -27.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4998   -2.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288   -1.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685   -5.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689    1.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6005  -32.1821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4609  -28.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8782  -48.5240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3254  -24.7472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395   -6.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5949  -42.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1693  -34.9064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792  -16.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544  -23.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0220  -44.8086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0296  -31.1869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0501  -17.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1857  -21.0317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9146  -13.5968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6189  -20.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0788    2.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5923  -38.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1580  -54.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   -3.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3518   -2.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1795  -25.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970   -2.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4498  -46.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291  -11.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0692    0.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0325  -27.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3238  -24.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5990  -32.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2069   -5.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3046  -49.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7572  -20.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9131  -13.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5977  -32.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3059  -49.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4936   -7.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9118  -13.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0441  -22.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3192  -29.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3225  -25.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7374  -42.0014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928   -6.0665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6217  -16.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9072  -16.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -7.1363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4547  -43.0712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7343  -53.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0679   -3.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7721  -10.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4447  -50.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8844  -32.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3192  -28.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6093  -24.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7315  -53.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0192  -49.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1985  -13.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4936   -6.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0441  -21.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1671  -33.1607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8919  -25.7299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6047  -28.7114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3294  -21.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7791   -6.4107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7365  -50.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4812  -14.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3109  -37.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4552  -40.8445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6373   -0.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4956   -4.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3109  -36.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0679   -5.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0213  -39.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291  -10.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1795  -25.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7837   -2.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1629  -45.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   -2.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560   -3.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7688  -14.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5927  -46.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366   -6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9044  -18.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5935  -42.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7365  -43.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925  -17.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3138  -33.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3321  -21.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6073  -28.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6217  -17.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0241  -42.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060   -6.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0233  -41.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7315  -54.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7315  -51.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0692    0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2041   -9.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7721  -10.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4447  -50.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592  -53.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    2.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6344    3.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234   -6.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3068  -42.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9044  -17.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7688  -13.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5927  -46.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7365  -42.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0233  -42.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4821  -13.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8795  -45.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9282   -3.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7352  -46.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1629  -45.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2115   -2.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7879   -1.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7518  -24.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6073  -24.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9262   -2.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7859   -2.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2014   -9.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611   -9.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837   -3.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592  -54.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592  -50.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4821  -12.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8795  -45.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650    2.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650    3.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3 43  1  0
  1  4  1  1
  5 49  1  0
  6  3  1  0
  7 11  1  0
  8 10  1  0
  9  4  1  0
 10 88  1  0
 11 89  1  0
 12 41  1  0
 13 84  1  0
 14 68  1  0
 15 69  1  0
 16 71  1  0
 17 77  1  0
 18 74  1  0
 19 73  1  0
 20 76  1  0
 21 75  1  0
 22 91  1  0
 23 92  1  0
 24 93  1  0
 25 90  1  0
 26 94  1  0
 27102  1  0
 28104  1  0
 29103  1  0
 30100  1  0
 31101  1  0
 32105  1  0
 33107  1  0
 34106  1  0
 35109  1  0
 36108  1  0
 37 14  1  0
 38  2  1  0
 39  5  1  0
 40 16  1  0
 41 72  1  0
 42 37  1  6
 43  8  1  6
 44 27  1  0
 45 15  1  0
 46 17  1  0
 47 22  1  0
 48 28  1  0
 49  7  1  6
 50 19  1  0
 51 32  1  0
 52 29  1  0
 53 35  1  0
 54 26  1  0
 55 25  1  0
 56 30  1  0
 57 13  1  0
 58 18  1  0
 59 21  1  0
 60 20  1  0
 61 33  1  0
 62 23  1  0
 63 36  1  0
 64 34  1  0
 65 24  1  0
 66 31  1  0
 67 42  1  0
 68 44  1  1
 69 40  1  0
 70  6  1  6
 71 38  1  0
 72  9  1  0
 73 39  1  0
 74 47  1  1
 75 48  1  1
 76 46  1  0
 77 45  1  0
 78123  1  0
 79122  1  0
 80182  2  0
 81181  2  0
 82180  2  0
 83 70  1  0
 84127  1  0
 85 12  1  0
 86 95  1  0
 87 96  1  0
 88 51  1  1
 89 53  1  0
 90 56  1  1
 91 55  1  6
 92 54  1  6
 93 50  1  0
 94 52  1  1
 95 68  1  0
 69 96  1  1
 97 67  1  0
 98 87  1  0
 99 86  1  0
100 63  1  0
101 61  1  0
102 62  1  0
103 58  1  0
104 64  1  6
105 59  1  6
106 57  1  1
107 65  1  0
108 66  1  1
109 60  1  0
110 98  2  0
111 99  2  0
112192  1  0
113190  1  0
114191  1  0
115 81  1  0
116 82  1  0
117 80  1  0
118194  1  0
119195  1  0
120197  1  0
121196  1  0
122 87  2  0
123 86  2  0
124  2  2  0
125  3  2  0
126  5  2  0
127 97  1  0
128  9  2  0
129 13  2  0
130 12  2  0
131 10  2  0
132 11  2  0
133 21  2  0
134 19  2  0
135 14  2  0
136 18  2  0
137 17  2  0
138 15  2  0
139 20  2  0
140 16  2  0
141 23  2  0
142 29  2  0
143 32  2  0
144 22  2  0
145 35  2  0
146 34  2  0
147 27  2  0
148 33  2  0
149 25  2  0
150 28  2  0
151 26  2  0
152 31  2  0
153 30  2  0
154 24  2  0
155 36  2  0
 71156  1  6
157 67  2  0
158 83  2  0
 76159  1  1
 72160  1  6
161 74  1  0
 77162  1  6
163 75  1  0
 73164  1  1
165  1  1  0
166114  2  0
167112  2  0
168113  2  0
169121  2  0
170118  2  0
171120  2  0
172119  2  0
173 92  1  0
174 88  1  0
 89175  1  1
 93176  1  6
177 90  1  0
178 94  1  0
179 91  1  0
180230  1  0
181231  1  0
182229  1  0
183 80  1  0
184 81  1  0
185 82  1  0
186 83  1  0
 85187  1  6
188 49  1  0
189 43  1  0
190173  1  0
191178  1  0
192179  1  0
193 70  1  0
194174  1  0
195176  1  0
196175  1  0
197177  1  0
198113  1  0
199112  1  0
200114  1  0
201120  1  0
202121  1  0
203118  1  0
204119  1  0
205156  1  0
206 42  1  0
207232  1  0
208165  1  0
209 85  1  0
210206  1  0
211209  1  0
 84212  1  1
213164  1  0
214161  1  0
215162  1  0
216163  1  0
217159  1  0
218160  1  0
107219  1  1
220105  1  0
109221  1  6
222108  1  0
223106  1  0
224104  1  0
101225  1  6
102226  1  1
100227  1  6
103228  1  6
229244  1  0
230243  1  0
231242  1  0
232248  1  0
233193  1  0
234189  1  0
165235  1  6
236188  1  0
237188  1  0
189238  1  6
193239  1  6
240205  1  0
241205  2  0
242221  1  0
243223  1  0
244222  1  0
245219  1  0
246220  1  0
247224  1  0
248247  1  0
249245  1  0
250246  1  0
251218  1  0
252216  1  0
253216  1  0
254215  1  0
255215  1  0
256214  1  0
257214  1  0
258217  1  0
259217  1  0
260213  1  0
261213  1  0
262218  1  0
263233  1  0
264234  1  0
265249  1  0
266250  1  0
267240  2  0
268241  1  0
269267  1  0
269268  2  0
110 79  1  0
111 78  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA2370293

   H-Ser-Leu-Thr-D-Phe-His-Leu-Leu-Arg-Glu-Val-Leu-Glu-Nle-Ala-Arg-Ala-Glu-Gln-Leu-Ala-Gln-Gln-Ala-His-Ser-bAib(S)-Arg-Lys-Leu-Nle-Glu-Ile-Ile-NH2

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 3811.50

Molecular Weight (Monoisotopic): 3809.1792

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. Hernandez JF, Kornreich W, Rivier C, Miranda A, Yamamoto G, Andrews J, Taché Y, Vale W, Rivier J..  (1993)  Synthesis and relative potencies of new constrained CRF antagonists.,  36  (20): [PMID:8411001] [10.1021/jm00072a004]

Source

Source(1):

• Scientific Literature