2-(2,2-dimethyl-3-oxidanyl-propanoyl)oxyethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-2-oxidanyl-butanoate

Systemtic Name: 2-(2,2-dimethyl-3-oxidanyl-propanoyl)oxyethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-2-oxidanyl-butanoate Openeye Name: 2-(3-hydroxy-2,2-dimethyl-propanoyl)oxyethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butanoate CAS Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoic acid 2-(3-hydroxy-2,2-dimethyl-1-oxopropoxy)ethyl ester IUPAC Name: 2-(3-hydroxy-2,2-dimethylpropanoyl)oxyethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoate Traditional Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butyric acid 2-(3-hydroxy-2,2-dimethyl-propanoyl)oxyethyl ester Formula: C18H33NO10S MolecularWeight: 455.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(C(=O)OCCOC(=O)C(C)(C)CO)O

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)OCC(C)(C)[C@H](C(=O)OCCOC(=O)C(C)(C)CO)O

InChI

InChI=1S/C18H33NO10S/c1-13(21)19-7-6-10-30(25,26)29-12-18(4,5)14(22)15(23)27-8-9-28-16(24)17(2,3)11-20/h14,20,22H,6-12H2,1-5H3,(H,19,21)/t14-/m0/s1