Compound: Ombitasvir
SMILES: O=C(OC)N[C@H](C(=O)N1[C@H](C(=O)Nc2ccc([C@H]3N(c4ccc(C(C)(C)C)cc4)[C@H](c5ccc(NC(=O)[C@H]6N(C(=O)[C@@H](NC(=O)OC)C(C)C)CCC6)cc5)CC3)cc2)CCC1)C(C)C
InChIKey: PIDFDZJZLOTZTM-KHVQSSSXSA-N
Synonyms: Ombitasvir, 1258226-87-7, ABT-267, ABT267, CHEBI:85183, ABT 267, 2302768XJ8, DTXSID201027920, VIEKIRAX COMPONENT OMBITASVIR, Carbamic acid, N,N'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)bis(4,1-phenyleneiminocarbonyl-(2S)-2,1-pyrrolidinediyl((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl ester, L-Prolinamide,2,2'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)di-4,1-phenylene)bis(N-(methoxycarbonyl)-L-valyl-, methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate, dimethyl ([(2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl]bis{(4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate, ombitasvirum, dimethyl (((2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl)bis((4,1-phenylene)carbamoyl(2S)pyrrolidine-2,1-diyl((2S)-3-methyl-1-oxobutane-1,2-diyl)))biscarbamate, methyl N-((2S)-1-((2S)-2-((4-((2S,5S)-1-(4-tert-butylphenyl)-5-(4-(((2S)-1-((2S)-2-(methoxycarbonylamino)-3-methylbutanoyl)pyrrolidine-2-carbonyl)amino)phenyl)pyrrolidin-2-yl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate, RefChem:168187, DTXCID101513481, N,N'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)bis(4,1-phenyleneiminocarbonyl-(2S)-2,1-pyrrolidinediyl((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-C,C'-dimethyl ester carbamic acid, Dimethyl(2S,2'S)-1,1'-((2S,2'S)-2,2'-(4,4'-((2S,5S)-1-(4-tert-Butylphenyl)pyrrolidine-2,5-diyl)bis(4,1-phenylene))bis-(azanediyl)bis(oxomethylene)bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate, L-Prolinamide,2,2'-(((2S,5S)-1-(4-(1,1-dimethylethyl)phenyl)-2,5-pyrrolidinediyl)di-4,1-phenylene)bis(N-(methoxycarbonyl)-L-valy, Ombitasvir(ABT-267), Methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(tert-butyl)phenyl)-5-(4-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido)phenyl)pyrrolidin-2-yl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate, methyl N-[(1S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate, Ombitasvir [INN], Ombitasvir [USAN:INN], UNII-2302768XJ8, ABT 267; 2,2'-[[(2S,5S)-1-[4-(1,1-Dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-L-prolinamide], MFCD28386270, OMBITASVIR [MI], Ombitasvir (USAN/INN), OMBITASVIR [USAN], Ombitasvir (ABT-267), OMBITASVIR [VANDF], OMBITASVIR [WHO-DD], SCHEMBL8542284, CHEMBL3127326, OMBITASVIR [ORANGE BOOK], GTPL11272, GLXC-07662, EX-A5846, BDBM50453112, EBC-27503, s5403, AKOS025396425, CCG-270561, CS-5330, DB09296, compound 38 [PMID: 24400777], NCGC00510316-01, NCGC00510316-02, AO178040, DA-56437, HY-13997, methyl N-[(2S)-1-[(2S)-2-({4-[(2S,5S)-1-(4-tert-butylphenyl)-5-{4-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-amido]phenyl}pyrrolidin-2-yl]phenyl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate, C72037, D10576, EN300-20352138, Technivie (ombitasvir  + paritaprevir  + ritonavir), BRD-K11072003-001-01-6, Q19598175, Diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, 10,11,12,13-tetrahydro-5-hydroxy-3,7-bis[2,4,6-tris(1-methylethyl)phenyl]-, 5-oxide, (11aS)-
Theoretical properties:
molecular_formula: C50H67N7O8
molecular_weight: 894.1 g/mol
exact_mass: 893.50511212 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 16
heavy_atom_count: 65
topological_polar_surface_area: 179 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ombitasvir is a dipeptide derivative which is used which is in combination with dasabuvir sodium hydrate, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. It has a role as an antiviral drug and a hepatitis C virus nonstructural protein 5A inhibitor. It is a carbamate ester, a member of pyrrolidines, a dipeptide and an aromatic amide. It is functionally related to a Val-Pro.
chebi: A dipeptide derivative which is used which is in combination with dasabuvir sodium hydrate, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.
chembl: OMBITASVIR is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Ombitasvir is an antiviral drug for the treatment of hepatitis C virus (HCV) infection by AbbVie.  In the United States, it is approved by the Food and Drug Administration for use in combination with paritaprevir, ritonavir and dasabuvir in the product Viekira Pak for the treatment of HCV genotype 1, and with paritaprevir and ritonavir in the product Technivie for the treatment of HCV genotype 4.
Ombitasvir is an NS5A inhibitor that acts by inhibiting the HCV protein NS5A.