[(1R)-1-[(4R,5S)-5-[(3S,5R)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-(phenylmethyl)-1,2-oxazolidin-3-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(diphenyl)silyl]oxy-ethyl] benzoate

Systemtic Name: [(1R)-1-[(4R,5S)-5-[(3S,5R)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)-2-(phenylmethyl)-1,2-oxazolidin-3-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(diphenyl)silyl]oxy-ethyl] benzoate Openeye Name: [(1R)-1-[(4R,5S)-5-[(3S,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-2-benzyl-isoxazolidin-3-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(diphenyl)silyl]oxy-ethyl] benzoate CAS Name: benzoic acid [(1R)-1-[(4R,5S)-5-[(3S,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-2-(phenylmethyl)-3-isoxazolidinyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] ester IUPAC Name: [(1R)-1-[(4R,5S)-5-[(3S,5R)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-2-benzyl-1,2-oxazolidin-3-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] benzoate Traditional Name: benzoic acid [(1R)-1-[(4R,5S)-5-[(3S,5R)-5-(2-acetamido-6-keto-3H-purin-9-yl)-2-benzyl-isoxazolidin-3-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(diphenyl)silyl]oxy-ethyl] ester Formula: C47H52N6O8Si MolecularWeight: 857.03668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(N(O3)CC4=CC=CC=C4)C5C(OC(O5)(C)C)C(CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)OC(=O)C8=CC=CC=C8

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@H](N(O3)CC4=CC=CC=C4)[C@H]5[C@@H](OC(O5)(C)C)[C@@H](CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C47H52N6O8Si/c1-31(54)49-45-50-42-39(43(55)51-45)48-30-52(42)38-27-36(53(61-38)28-32-19-11-7-12-20-32)40-41(60-47(5,6)59-40)37(58-44(56)33-21-13-8-14-22-33)29-57-62(46(2,3)4,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,30,36-38,40-41H,27-29H2,1-6H3,(H2,49,50,51,54,55)/t36-,37+,38+,40-,41-/m0/s1