[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl]oxysulfonyl-phenylmethoxycarbonyl-amino]methyl]oxolan-3-yl] benzoate

Systemtic Name: [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl]oxysulfonyl-phenylmethoxycarbonyl-amino]methyl]oxolan-3-yl] benzoate Openeye Name: [(2R,3S,5R)-2-[[benzyloxycarbonyl-[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-(trityloxymethyl)tetrahydrofuran-3-yl]oxysulfonyl-amino]methyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-[(triphenylmethyl)oxymethyl]-3-oxolanyl]oxysulfonyl-phenylmethoxycarbonylamino]methyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl]oxysulfonyl-phenylmethoxycarbonylamino]methyl]oxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,5R)-2-[[carbobenzoxy-[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-(trityloxymethyl)tetrahydrofuran-3-yl]oxysulfonyl-amino]methyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester Formula: C54H51N5O14S MolecularWeight: 1026.07284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN(C(=O)OCC3=CC=CC=C3)S(=O)(=O)OC4CC(OC4COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)N8C=C(C(=O)NC8=O)C)OC(=O)C9=CC=CC=C9

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN(C(=O)OCC3=CC=CC=C3)S(=O)(=O)O[C@H]4C[C@@H](O[C@@H]4COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)N8C=C(C(=O)NC8=O)C)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C54H51N5O14S/c1-35-30-57(51(63)55-48(35)60)46-28-42(72-50(62)38-20-10-4-11-21-38)44(70-46)32-59(53(65)68-33-37-18-8-3-9-19-37)74(66,67)73-43-29-47(58-31-36(2)49(61)56-52(58)64)71-45(43)34-69-54(39-22-12-5-13-23-39,40-24-14-6-15-25-40)41-26-16-7-17-27-41/h3-27,30-31,42-47H,28-29,32-34H2,1-2H3,(H,55,60,63)(H,56,61,64)/t42-,43-,44+,45+,46+,47+/m0/s1