[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphanyl]oxymethyl]oxolan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphanyl]oxymethyl]oxolan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3S,5R)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphanyl]oxymethyl]tetrahydrofuran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3S,5R)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy-(2-cyanoethoxy)phosphino]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphanyl]oxymethyl]oxolan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3S,5R)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphino]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C62H60N9O14P MolecularWeight: 1186.165461

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1CC(OC1COP(OCCC#N)OC2CC(OC2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=NC7=C6N=CN=C7NC(=O)C8=CC=CC=C8)N9C=CC(=NC9=O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)CCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(OCCC#N)O[C@H]2C[C@@H](O[C@@H]2COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N6C=NC7=C6N=CN=C7NC(=O)C8=CC=CC=C8)N9C=CC(=NC9=O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C62H60N9O14P/c1-40(72)20-29-55(73)84-48-34-53(70-32-30-52(68-61(70)76)67-59(74)41-14-7-4-8-15-41)83-51(48)37-81-86(80-33-13-31-63)85-49-35-54(71-39-66-56-57(64-38-65-58(56)71)69-60(75)42-16-9-5-10-17-42)82-50(49)36-79-62(43-18-11-6-12-19-43,44-21-25-46(77-2)26-22-44)45-23-27-47(78-3)28-24-45/h4-12,14-19,21-28,30,32,38-39,48-51,53-54H,13,20,29,33-37H2,1-3H3,(H,64,65,69,75)(H,67,68,74,76)/t48-,49-,50+,51+,53+,54+,86?/m0/s1