O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] O4-(4-nitrophenyl) butanedioate

Systemtic Name: O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] O4-(4-nitrophenyl) butanedioate Openeye Name: O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-3-yl] O4-(4-nitrophenyl) butanedioate CAS Name: butanedioic acid O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-dioxo-1-pyrimidinyl]-3-oxolanyl] ester O4-(4-nitrophenyl) ester IUPAC Name: 1-O-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] 4-O-(4-nitrophenyl) butanedioate Traditional Name: succinic acid O1-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[2-(tert-butyldisulfanyl)ethyl]-2,4-diketo-5-methyl-pyrimidin-1-yl]tetrahydrofuran-3-yl] ester O4-(4-nitrophenyl) ester Formula: C47H51N3O12S2 MolecularWeight: 914.05074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)CCSSC(C)(C)C)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OC(=O)CCC(=O)OC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)CCSSC(C)(C)C)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OC(=O)CCC(=O)OC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C47H51N3O12S2/c1-31-29-49(45(54)48(44(31)53)26-27-63-64-46(2,3)4)41-28-39(62-43(52)25-24-42(51)60-38-22-16-35(17-23-38)50(55)56)40(61-41)30-59-47(32-10-8-7-9-11-32,33-12-18-36(57-5)19-13-33)34-14-20-37(58-6)21-15-34/h7-23,29,39-41H,24-28,30H2,1-6H3/t39-,40+,41+/m0/s1