[(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxolan-3-yl]oxy-N-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]phosphonamidic acid

Systemtic Name: [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxolan-3-yl]oxy-N-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]phosphonamidic acid Openeye Name: [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-[(2,2,2-trifluoroacetyl)amino]tetrahydrofuran-3-yl]oxy-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]phosphonamidic acid CAS Name: [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxo-1-pyrimidinyl)-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-oxolanyl]oxy-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl]phosphonamidic acid IUPAC Name: [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-4-[(2,2,2-trifluoroacetyl)amino]oxolan-3-yl]oxy-N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]phosphonamidic acid Traditional Name: [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-diketopyrimidin-1-yl)-4-[(2,2,2-trifluoroacetyl)amino]tetrahydrofuran-3-yl]oxy-N-[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]phosphonamidic acid Formula: C42H44F3N6O14P MolecularWeight: 944.799531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNP(=O)(O)OC3C(OC(C3NC(=O)C(F)(F)F)N4C=CC(=O)NC4=O)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3NC(=O)C(F)(F)F)N4C=CC(=O)NC4=O)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)O

InChI

InChI=1S/C42H44F3N6O14P/c1-23-21-51(40(57)49-36(23)54)33-19-29(52)30(63-33)20-46-66(58,59)65-35-31(64-37(34(35)48-38(55)42(43,44)45)50-18-17-32(53)47-39(50)56)22-62-41(24-7-5-4-6-8-24,25-9-13-27(60-2)14-10-25)26-11-15-28(61-3)16-12-26/h4-18,21,29-31,33-35,37,52H,19-20,22H2,1-3H3,(H,48,55)(H2,46,58,59)(H,47,53,56)(H,49,54,57)/t29-,30+,31+,33+,34+,35+,37+/m0/s1