HIT ID: HIT218698031

Cas No: 1315378-67-6

分子式: C62H95N13O19

分子量: 1326.514

常用名: (2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylpentanamido]-4-carboxybutanamido]-4-carboxybutanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid, pep2-EVKI

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylpentanamido]-4-carboxybutanamido]-4-carboxybutanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid

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

InChI key: KGQYILLVACJAQP-XMCCVONBSA-N