HIT ID: HIT218658565

Cas No: 1030384-98-5

分子式: C86H147N27O23

分子量: 1927.288

常用名: (2S)-2,6-bis[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}-3-methylbutanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]hexanamide, CTCE-9908

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2,6-bis[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}-3-methylbutanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]pentanamido]hexanamide

SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O

InChI key: VUYRSKROGTWHDC-HZGLMRDYSA-N