Name: HIV protease-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT218852295
Cas No:2511547-82-1
常用名:HIV protease-IN-1
IUPAC:(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,5-dihydro-1H-imidazol-1-yl]-2-{4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}ethyl N-[1-(difluoromethyl)cyclopropyl]carbamate; butanedioic acid
IUPAC:(2S)-2-[(4R)-2-amino-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,5-dihydro-1H-imidazol-1-yl]-2-{4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}ethyl N-[1-(difluoromethyl)cyclopropyl]carbamate; butanedioic acid
InChI key:XYOFGPYJEVLJDH-JIQBXTIVSA-N

分子式:C39H40ClF7N10O7
分子量:929.25
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)CCC(O)=O.CC(C)(C[C@@]1(N=C(N)N([C@H](COC(=O)NC2(CC2)C(F)F)c2ccc(Cl)c(c2)-c2ncnn2C(F)F)C1=O)c1ccc(cc1)-c1cnn(n1)C1CC1)C(F)(F)F
SMILES:OC(=O)CCC(O)=O.CC(C)(C[C@@]1(N=C(N)N([C@H](COC(=O)NC2(CC2)C(F)F)c2ccc(Cl)c(c2)-c2ncnn2C(F)F)C1=O)c1ccc(cc1)-c1cnn(n1)C1CC1)C(F)(F)F

HIVprotease-IN-1 (compound 1·succinate) 是一种有效的HIV 蛋白酶 (HIV protease) 非肽抑制剂，可用于艾滋病的研究。

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