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

Systemtic Name: 2-phenylethanoyloxymethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-3,3-dimethyl-2-oxidanyl-butanoate Openeye Name: (2-phenylacetyl)oxymethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butanoate CAS Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoic acid (1-oxo-2-phenylethoxy)methyl ester IUPAC Name: (2-phenylacetyl)oxymethyl (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethylbutanoate Traditional Name: (2R)-4-(3-acetamidopropylsulfonyloxy)-2-hydroxy-3,3-dimethyl-butyric acid (2-phenylacetyl)oxymethyl ester Formula: C20H29NO9S MolecularWeight: 459.51056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)OCC(C)(C)C(C(=O)OCOC(=O)CC1=CC=CC=C1)O

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)OCC(C)(C)[C@H](C(=O)OCOC(=O)CC1=CC=CC=C1)O

InChI

InChI=1S/C20H29NO9S/c1-15(22)21-10-7-11-31(26,27)30-13-20(2,3)18(24)19(25)29-14-28-17(23)12-16-8-5-4-6-9-16/h4-6,8-9,18,24H,7,10-14H2,1-3H3,(H,21,22)/t18-/m0/s1