Name: BzNH-BS
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212080551
Cas No:2443928-42-3
常用名:BzNH-BS
IUPAC:(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methyl-N-[17-(phenylformamido)-3,6,9,12,15-pentaoxaheptadecan-1-yl]pentanamide
IUPAC:(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methyl-N-[17-(phenylformamido)-3,6,9,12,15-pentaoxaheptadecan-1-yl]pentanamide
InChI key:VJPDUUIEFZFXNO-RTOKGZNSSA-N

分子式:C35H54N4O9
分子量:674.836
氢键供体数 (HBD):5
氢键受体数 (HBA):10
LogP:1.2227644
SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCOCCOCCNC(=O)c1ccccc1
SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NCCOCCOCCOCCOCCOCCNC(=O)c1ccccc1

BzNH-BS is a chemical compound comprising two distinct ligands: methyl-bestatin (MeBS) for cIAP1 and benzoyl-amide. The ligands are interconnected through linkers. MeBS functions as a ligand for cIAP1, a ubiquitin ligase involved in cellular inhibition of apoptosis processes [1].

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