Odalasvir
methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Identity
Odalasvir
methyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID: 71474517
2D Structure
Properties
C60H72N8O6
Molecular Formula
1001.30
Molecular Weight
g/mol
1000.5575
Exact Mass
Da
11.5
XLogP
Above Lipinski threshold
175
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
1840
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Odalasvir1415119-52-6OVR52K7BDWACH-0143102DTXSID401032258Carbamic acid, N,N'-(tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis(1H-benzimidazole-6,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl esterDimethyl N,N'-(1,4(1,4)-dibenzenacyclohexaphane-12,42-diylbis(1hbenzimidazole-5,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((2S)-3-methyl-1-oxobutan-1,2-diyl)))biscarbamateMethyl N-[(2S)-1-[(2S,3aS,7aS)-2-[6-[11-[2-[(2S,3aS,7aS)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamateodalasvirummethyl N-((2S)-1-((2S,3aS,7aS)-2-(6-(11-(2-((2S,3aS,7aS)-1-((2S)-2-(methoxycarbonylamino)-3-methylbutanoyl)-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)-3H-benzimidazol-5-yl)-5-tricyclo(8.2.2.24,7)hexadeca-1(12),4,6,10,13,15-hexaenyl)-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methyl-1-oxobutan-2-yl)carbamateRefChem:856151DTXCID701517267C,C'-Dimethyl N,N'-(tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis(1H-benzimidazole-6,2-diyl((2S,3aS,7aS)-octahydro-1H-indole-2,1-diyl)((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis(carbamate)Odalasvir (ACH-3102)ACH-3102
Data from PubChem (NCBI)
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