HIT ID: HIT218698435

Cas No: 199727-68-9

分子式: C53H93N15O13

分子量: 1148.419

常用名: (2S)-6-amino-2-[(2S,3R)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]acetamido}-3-hydroxybutanamido]hexanoic acid, CEF4

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-6-amino-2-[(2S,3R)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]acetamido}-3-hydroxybutanamido]hexanoic acid

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O

InChI key: KBYAVSUZGDPFOZ-LERFSCLPSA-N