(4S,7S,9aS)—N—((S)-2-((6-((S)-2-((4S,7S,9aS)-8,8-dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxooctahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamido)-2-phenylethoxy)hexa-2,4-diyn-1-yl)oxy)-1-phenylethyl)-8,8-dimethyl-4-((S)-2-(methylamino)propanethioamido)-5-oxooctahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide

化合物标识与属性

PubChem CID

146597143

SMILES

C[C@@H](C(=O)N[C@H]1CCS[C@H]2CC([C@H](N2C1=O)C(=O)N[C@H](COCC#CC#CCOC[C@H](C3=CC=CC=C3)NC(=O)[C@@H]4C(C[C@H]5N4C(=O)[C@H](CCS5)NC(=S)[C@H](C)NC)(C)C)C6=CC=CC=C6)(C)C)NC

Canonical SMILES

CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)[C@@H](C(=O)N[C@H](COCC#CC#CCOC[C@@H](NC(=O)[C@H]3N4C(=O)[C@@H](NC(=S)[C@H](C)NC)CCS[C@H]4CC3(C)C)c3ccccc3)c3ccccc3)N2C1=O