(4S,7S)-N-[(1S)-2-[6-[[(2R)-2-[[(4R,7R)-8,8-dimethyl-4-[[(2R)-2-(methylamino)propanethioyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]thiazepine-7-carbonyl]amino]-2-phenyl-acetyl]amino]hexa-2,4-diynylamino]-2-oxo-1-phenyl-ethyl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide

Compound Identifiers & Properties

PubChem CID

155925439

SMILES

C[C@@H](C(=O)N[C@H]1CCSC2CC([C@H](N2C1=O)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)NCC#CC#CCNC(=O)[C@@H](C4=CC=CC=C4)NC(=O)[C@H]5C(CC6N5C(=O)[C@@H](CCS6)NC(=S)[C@@H](C)NC)(C)C)(C)C)NC

Canonical SMILES

CN[C@@H](C)C(=O)N[C@H]1CCSC2CC(C)(C)[C@@H](C(=O)N[C@H](C(=O)NCC#CC#CCNC(=O)[C@H](NC(=O)[C@@H]3N4C(=O)[C@H](NC(=S)[C@@H](C)NC)CCSC4CC3(C)C)c3ccccc3)c3ccccc3)N2C1=O