(2S)-6-Amino-2-[(1R,4S,7S,10S,13R,18R,21S,27S,30R,33S,36S,39R,42S,45S,54S)-13-amino-21-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-54-benzyl-27-(carboxymethyl)-33-(hydroxymethyl)-36-[(1H-indol-3-yl)methyl]-57-methylidene-42-(2-methylpropyl)-3,6,9,12,20,23,26,29,32,35,38,41,44,50,53,56,59-heptadecaoxo-10-(propan-2-yl)-15,61,65-trithia-2,5,8,11,19,22,25,28,31,34,37,40,43,49,52,55,58-heptadecaazatetracyclo[37.20.4.3~4,30~.0~45,49~]hexahexacontane-18-carboxamido]hexanoic acid

化合物标识与属性

CAS

88201-41-6

PubChem CID

16132359

SMILES

CC(C)C[C@H]1C(=O)N[C@@H]2CCSC[C@@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N1)CC4=CC=CC=C4)NC(=O)[C@H]5CSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CCSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)CCC(=O)N)C(C)C)N)C(=O)N[C@@H](CCCCN)C(=O)O)CC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC6=CNC7=CC=CC=C76)CO

Canonical SMILES

C=C1NC(=O)[C@@H]2CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](Cc3ccccc3)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)CSCC[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC1=O)C(=O)N2