[(2R,3R,5R)-4,4-bis(fluoranyl)-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-pyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] 4-[2-[butan-2-yl-[1-(2-chlorophenyl)isoquinolin-3-yl]carbonyl-amino]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: [(2R,3R,5R)-4,4-bis(fluoranyl)-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-pyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] 4-[2-[butan-2-yl-[1-(2-chlorophenyl)isoquinolin-3-yl]carbonyl-amino]ethylamino]-4-oxidanylidene-butanoate Openeye Name: [(2R,3R,5R)-5-[4-(tert-butoxycarbonylamino)-2-oxo-pyrimidin-1-yl]-2-(tert-butoxycarbonyloxymethyl)-4,4-difluoro-tetrahydrofuran-3-yl] 4-[2-[[1-(2-chlorophenyl)isoquinoline-3-carbonyl]-sec-butyl-amino]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[butan-2-yl-[[1-(2-chlorophenyl)-3-isoquinolinyl]-oxomethyl]amino]ethylamino]-4-oxobutanoic acid [(2R,3R,5R)-4,4-difluoro-2-[[(2-methylpropan-2-yl)oxy-oxomethoxy]methyl]-5-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-pyrimidinyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,5R)-4,4-difluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] 4-[2-[butan-2-yl-[1-(2-chlorophenyl)isoquinoline-3-carbonyl]amino]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[[1-(2-chlorophenyl)isoquinoline-3-carbonyl]-sec-butyl-amino]ethylamino]-4-keto-butyric acid [(2R,3R,5R)-5-[4-(tert-butoxycarbonylamino)-2-keto-pyrimidin-1-yl]-2-(tert-butoxycarbonyloxymethyl)-4,4-difluoro-tetrahydrofuran-3-yl] ester Formula: C45H53ClF2N6O11 MolecularWeight: 927.385726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCNC(=O)CCC(=O)OC1C(OC(C1(F)F)N2C=CC(=NC2=O)NC(=O)OC(C)(C)C)COC(=O)OC(C)(C)C)C(=O)C3=CC4=CC=CC=C4C(=N3)C5=CC=CC=C5Cl

Isomeric SMILES

CCC(C)N(CCNC(=O)CCC(=O)O[C@@H]1[C@H](O[C@H](C1(F)F)N2C=CC(=NC2=O)NC(=O)OC(C)(C)C)COC(=O)OC(C)(C)C)C(=O)C3=CC4=CC=CC=C4C(=N3)C5=CC=CC=C5Cl

InChI

InChI=1S/C45H53ClF2N6O11/c1-9-26(2)53(38(57)31-24-27-14-10-11-15-28(27)36(50-31)29-16-12-13-17-30(29)46)23-21-49-34(55)18-19-35(56)63-37-32(25-61-42(60)65-44(6,7)8)62-39(45(37,47)48)54-22-20-33(51-40(54)58)52-41(59)64-43(3,4)5/h10-17,20,22,24,26,32,37,39H,9,18-19,21,23,25H2,1-8H3,(H,49,55)(H,51,52,58,59)/t26?,32-,37-,39-/m1/s1