Name: A 77003
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318224
Cas No:134878-17-4
常用名:A 77003
别名:Abbott 77003, A-77003, A77003
IUPAC:(2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamide
IUPAC:(2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-({methyl[(pyridin-2-yl)methyl]carbamoyl}amino)butanamide
InChI key:QPVWMQXBTCSLCB-BYAJYZPISA-N

分子式:C44H58N8O6
分子量:794.998
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |@@:55|
SMILES:CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |@@:55|

A 77003 is a HIV-1 protease inhibitor. A77003 impairs HIV-1 protease-mediated Gag processing.

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