(4R,7S,10S,13S,16S,19S,22R)-22-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]acetamido}acetamido)-4-methylpentanamido]-3-methylpentanamido]hexanamido]-3-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanamido]-7,10-bis(4-aminobutyl)-13-[(1R)-1-hydroxyethyl]-19-methyl-6,9,12,15,18,21-hexaoxo-16-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosane-4-carboxylic acid

化合物标识与属性

CAS

155761-99-2

PubChem CID

172652894

SMILES

CC[C@H](C)[C@@H](C(=O)NC1CSSCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)C(C)C)[C@@H](C)O)CCCCN)CCCCN)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)N

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)NC1CSSCC(C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O