dimethylcarbamoyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetyloxy-3,3-dimethyl-butanoate

Systemtic Name: dimethylcarbamoyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetyloxy-3,3-dimethyl-butanoate Openeye Name: dimethylcarbamoyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetoxy-3,3-dimethyl-butanoate CAS Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetyloxy-3,3-dimethylbutanoic acid [dimethylamino(oxo)methyl] ester IUPAC Name: dimethylcarbamoyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetyloxy-3,3-dimethylbutanoate Traditional Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-acetoxy-3,3-dimethyl-butyric acid dimethylcarbamoyl ester Formula: C16H28N2O9S MolecularWeight: 424.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(C(=O)OC(=O)N(C)C)OC(=O)C

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)OCC(C)(C)[C@H](C(=O)OC(=O)N(C)C)OC(=O)C

InChI

InChI=1S/C16H28N2O9S/c1-11(19)17-8-7-9-28(23,24)25-10-16(3,4)13(26-12(2)20)14(21)27-15(22)18(5)6/h13H,7-10H2,1-6H3,(H,17,19)/t13-/m0/s1