3-oxidanyl-2-[3-(phenylsulfonyl)propanoylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[3-(phenylsulfonyl)propanoylamino]butanoic acid Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-(3-besylpropanoylamino)-3-hydroxy-butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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