4-methylsulfonyl-2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]butanoic acid Openeye Name: 2-[(2-hydroxy-2-phenyl-acetyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(2-hydroxy-2-phenylacetyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-(mandeloylamino)-4-mesyl-butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C(C1=CC=CC=C1)O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C(C1=CC=CC=C1)O

InChI

InChI=1S/C13H17NO6S/c1-21(19,20)8-7-10(13(17)18)14-12(16)11(15)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3,(H,14,16)(H,17,18)