Name: Brecanavir
Rating: 5 (10 reviews)

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HIT ID:HIT212715216
Cas No:313682-08-5
常用名:Brecanavir
别名:UNII-E367I8C7FI, GW-640385X, GW-640385, GW-0385, CHEMBL206031
别名:UNII-E367I8C7FI, GW-640385X, GW-640385, GW-0385, CHEMBL206031
IUPAC:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-4-[N-(2-methylpropyl)2H-1,3-benzodioxole-5-sulfonamido]butan-2-yl]carbamate
IUPAC:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-4-[N-(2-methylpropyl)2H-1,3-benzodioxole-5-sulfonamido]butan-2-yl]carbamate
InChI key:JORVRJNILJXMMG-OLNQLETPSA-N

分子式:C33H41N3O10S2
分子量:703.82
氢键供体数 (HBD):2
氢键受体数 (HBA):10
LogP:3.6991084
SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2csc(C)n2)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2OCOc2c1
SMILES:CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2csc(C)n2)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2OCOc2c1

Brecanavir is a tyrosyl-based arylsulfonamide, high affinity, protease inhibitor (PI) for the treatment of human immunodeficiency virus type 1.

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