Name: Grazoprevir hydrate
Rating: 5 (10 reviews)

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HIT ID:HIT214316414
Cas No:1350462-55-3
常用名:Grazoprevir hydrate
别名:MK-5172, MK5172, MK 5172, Grazoprevir
IUPAC:(1R,18R,20R,27S)-24-tert-butyl-N-[(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0^{3,12}.0^{5,10}.0^{18,20}]nonacosa-3,5,7,9,11-pentaene-27-carboxamide hydrate
IUPAC:(1R,18R,20R,27S)-24-tert-butyl-N-[(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0^{3,12}.0^{5,10}.0^{18,20}]nonacosa-3,5,7,9,11-pentaene-27-carboxamide hydrate
InChI key:RXSARIJMSJWJLZ-UJIIDBRPSA-N

分子式:C38H52N6O10S
分子量:784.93
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O.[H][C@@]12C[C@@]1([H])OC(=O)NC(C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |@:54|
SMILES:O.[H][C@@]12C[C@@]1([H])OC(=O)NC(C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |@:54|

Grazoprevir, a second generation hepatitis C virus protease inhibitor acting at the NS3/4a protease targets, has good activity against a range of hepatitis C virus genotype variants, including some that are resistant to most currently used antiviral medications.

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