API | tp-508

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Biologics Peptide Experimental

AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

2431.58

ALogP

Rule of 5

Rule of 3

Missing data

Details

SMILES: CC(=O)O.CC(=O)O.CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(N)=O
InChIKey: FZVMMANVVHMVBM-OIXLVLAFSA-N
InChI=1S/C97H147N29O35S.2C2H4O2/c1-48(2)79(80(101)145)124-92(157)60(35-51-15-6-5-7-16-51)120-94(159)66-20-13-33-125(66)73(134)45-105-68(129)40-107-86(151)64(46-127)122-90(155)62(38-77(141)142)115-72(133)44-110-85(150)57(27-29-75(137)138)118-93(158)65(47-162)123-82(147)50(4)111-88(153)61(37-76(139)140)114-71(132)43-108-83(148)54(19-12-32-104-97(102)103)116-87(152)55(17-8-10-30-98)112-69(130)42-109-84(149)56(26-28-74(135)136)117-91(156)63(39-78(143)144)121-95(160)67-21-14-34-126(67)96(161)58(18-9-11-31-99)119-89(154)59(36-52-22-24-53(128)25-23-52)113-70(131)41-106-81(146)49(3)100;2*1-2(3)4/h5-7,15-16,22-25,48-50,54-67,79,127-128,162H,8-14,17-21,26-47,98-100H2,1-4H3,(H2,101,145)(H,105,129)(H,106,146)(H,107,151)(H,108,148)(H,109,149)(H,110,150)(H,111,153)(H,112,130)(H,113,131)(H,114,132)(H,115,133)(H,116,152)(H,117,156)(H,118,158)(H,119,154)(H,120,159)(H,121,160)(H,122,155)(H,123,147)(H,124,157)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H4,102,103,104);2*1H3,(H,3,4)/t49-,50-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,79-;;/m0../s1
Chirality: Single Stereoisomer
Inorganic: No
Polymer: No

Sources

CHEMBL2107369 ChEMBL
rusalatide acetate

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