Grazoprevir
(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide
Molecular Identity
Grazoprevir
(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide
PubChem CID: 44603531
Grazoprevir is an azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. It has a role as an antiviral drug, a hepatoprotective agent and a hepatitis C protease inhibitor. It is a carbamate ester, a lactam, an aromatic ether, a quinoxaline derivative, a member of cyclopropanes, an azamacrocycle and a N-sulfonylcarboxamide.
2D Structure
Properties
C38H50N6O9S
Molecular Formula
766.90
Molecular Weight
g/mol
766.3360
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
204
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
1580
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Grazoprevir1350514-68-9MK5172MK-5172 ANHYDROUS(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamideCHEBI:132975DTXSID50159234MK-5172 MONOHYDRATEDTXSID00159229grazoprevirum(1R,18R,20R,24S,27S)-24-tert-butyl-N-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl)-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo(24.2.1.03,12.05,10.018,20)nonacosa-3,5(10),6,8,11-pentaene-27-carboxamideRefChem:782705DTXCID4081725DTXCID9081720J05AP11
Data from PubChem (NCBI)
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