HIT ID: HIT218697947

Cas No: 153045-21-7

分子式: C42H74N10O12S

分子量: 943.17

常用名: (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-methylbutanamido]propanamido]-3-hydroxybutanamido]-3-methylbutanoic acid, CEF20

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-methylbutanamido]propanamido]-3-hydroxybutanamido]-3-methylbutanoic acid

SMILES: CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O

InChI key: OLLATZWLQXKRHY-JJURSQSHSA-N