HIT ID: HIT218698026

Cas No: 210229-94-0

分子式: C50H90N14O17

分子量: 1159.351

常用名: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]hexanamido]-3-methylbutanamido]-3-hydroxybutanamido]propanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-methylpentanamido]butanedioic acid, SEB Domain (144-153)

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]hexanamido]-3-methylbutanamido]-3-hydroxybutanamido]propanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-methylpentanamido]butanedioic acid

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

InChI key: CBJHOJFUCHZZPM-JYVGZVKCSA-N