HIT ID: HIT218676750
Cas No: 265669-37-2
分子式: C49H76N12O15
分子量: 1073.216
常用名: (2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]hexanamido]-4-methylpentanoic acid, β-catenin peptide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-(4-hydroxyphenyl)propanamido]-4-carboxybutanamido]hexanamido]-4-methylpentanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)[C@@H](C)O)C(O)=O
InChI key: HLAGKNQFVHAMKL-NNBGWGCZSA-N