(2S,3R)-2-acetamido-3-(4-methylsulfonylphenyl)-3-oxidanyl-propanoic acid

Systemtic Name: (2S,3R)-2-acetamido-3-(4-methylsulfonylphenyl)-3-oxidanyl-propanoic acid Openeye Name: (2S,3R)-2-acetamido-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid CAS Name: (2S,3R)-2-acetamido-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid IUPAC Name: (2S,3R)-2-acetamido-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid Traditional Name: (2S,3R)-2-acetamido-3-hydroxy-3-(4-mesylphenyl)propionic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C1=CC=C(C=C1)S(=O)(=O)C)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)S(=O)(=O)C)O)C(=O)O

InChI

InChI=1S/C12H15NO6S/c1-7(14)13-10(12(16)17)11(15)8-3-5-9(6-4-8)20(2,18)19/h3-6,10-11,15H,1-2H3,(H,13,14)(H,16,17)/t10-,11+/m0/s1