Ledipasvir
methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Identity
Ledipasvir
methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID: 67505836
Ledipasvir is a benzimidazole derivative that is used in combination with sofosbuvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection. It has a role as an antiviral drug and a hepatitis C protease inhibitor. It is a member of benzimidazoles, a carbamate ester, a member of fluorenes, a member of imidazoles, an azaspiro compound, a bridged compound, an organofluorine compound, a carboxamide, a N-acylpyrrolidine and a L-valine derivative.
2D Structure
Properties
C49H54F2N8O6
Molecular Formula
889.00
Molecular Weight
g/mol
888.4134
Exact Mass
Da
7.4
XLogP
Above Lipinski threshold
175
TPSA
May have limited oral absorption
4
H-Bond Donors
10
H-Bond Acceptors
1820
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ledipasvir1256388-51-8GS-5885GS5885GS 5885WHO 9796013TE6E4WVCHEBI:85089DTXSID90154829HARVONI COMPONENT LEDIPASVIRmethyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamateCarbamic acid, N-((1S)-1-(((6S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-azabicyclo(2.2.1)hept-3-yl)-1H-benzimidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro(2.4)hept-5-yl)carbonyl)-2-methylpropyl)-, methyl esterledipasvirummethyl N-((2S)-1-((6S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((2S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-2-azabicyclo(2.2.1)heptan-3-yl)-3H-benzimidazol-5-yl)fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro(2.4)heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamateRefChem:798885
Data from PubChem (NCBI)
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