bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-dimethoxyphosphoryl-6-oxidanylidene-1,2-diazinane-1,2-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-dimethoxyphosphoryl-6-oxidanylidene-1,2-diazinane-1,2-dicarboxylate Openeye Name: bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3S)-3-dimethoxyphosphoryl-6-oxo-hexahydropyridazine-1,2-dicarboxylate CAS Name: (3S)-3-dimethoxyphosphoryl-6-oxodiazinane-1,2-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-3-dimethoxyphosphoryl-6-oxodiazinane-1,2-dicarboxylate Traditional Name: (3S)-3-dimethoxyphosphoryl-6-keto-hexahydropyridazine-1,2-dicarboxylic acid bis[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H49N2O8P MolecularWeight: 572.671021

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)N2C(CCC(=O)N2C(=O)OC3CC(CCC3C(C)C)C)P(=O)(OC)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2[C@H](CCC(=O)N2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)P(=O)(OC)OC)C(C)C

InChI

InChI=1S/C28H49N2O8P/c1-17(2)21-11-9-19(5)15-23(21)37-27(32)29-25(31)13-14-26(39(34,35-7)36-8)30(29)28(33)38-24-16-20(6)10-12-22(24)18(3)4/h17-24,26H,9-16H2,1-8H3/t19-,20-,21+,22+,23-,24-,26+/m1/s1