[(2R,3R,4S,5R,6R)-6-[[(2S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxysulfonylcarbamoyloxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[[(2S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxysulfonylcarbamoyloxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxysulfonylcarbamoyloxy]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[[(2S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxysulfonylamino]-oxomethoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxysulfonylcarbamoyloxy]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2S,5R)-5-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxysulfonylcarbamoyloxy]tetrahydropyran-2-yl]methyl ester Formula: C44H39N3O17S MolecularWeight: 913.85536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COS(=O)(=O)NC(=O)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N7C=CC(=O)NC7=O

Isomeric SMILES

C1C[C@@H](O[C@@H]1COS(=O)(=O)NC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N7C=CC(=O)NC7=O

InChI

InChI=1S/C44H39N3O17S/c48-33-23-24-47(43(53)45-33)34-22-21-31(59-34)25-58-65(55,56)46-44(54)64-42-37(63-41(52)30-19-11-4-12-20-30)36(62-40(51)29-17-9-3-10-18-29)35(61-39(50)28-15-7-2-8-16-28)32(60-42)26-57-38(49)27-13-5-1-6-14-27/h1-20,23-24,31-32,34-37,42H,21-22,25-26H2,(H,46,54)(H,45,48,53)/t31-,32+,34+,35+,36-,37+,42+/m0/s1