3-((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-15-(((S)-1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)-23-(4-hydroxybenzyl)-9-((S)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontin-26-yl)propanoic acid

化合物标识与属性

PubChem CID

177836230

SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CSSC[C@H]3C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N2)[C@H](C)O)NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC4=O)CC(=O)N)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC6=CC=C(C=C6)O)CCC(=O)O)N

Canonical SMILES

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N3)NC2=O)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)N1