HIT ID: HIT218851988
Cas No: 488118-64-5
分子式: C60H90N12O17
分子量: 1251.447
常用名: p53 (17-26)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-4-methylpentanamido]-4-methylpentanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-4-methylpentanamido]-4-methylpentanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
InChI key: MTXGYKHKHYPQCZ-YVIBZCAZSA-N
