[2-(dimethylamino)-2-oxidanylidene-ethyl] (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-cyclohexyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-cyclohexyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-(cyclohexoxy)-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-cyclohexyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-cyclohexyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-(cyclohexoxy)-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C29H44N2O14 MolecularWeight: 644.66466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OCC(=O)N(C)C)OC2CCCCC2)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OCC(=O)N(C)C)OC2CCCCC2)OC(=O)C

InChI

InChI=1S/C29H44N2O14/c1-16(32)30-25-22(41-18(3)34)13-29(44-21-11-9-8-10-12-21,28(38)40-15-24(37)31(6)7)45-27(25)26(43-20(5)36)23(42-19(4)35)14-39-17(2)33/h21-23,25-27H,8-15H2,1-7H3,(H,30,32)/t22-,23+,25+,26+,27+,29+/m0/s1