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

Systemtic Name: 3-methyl-2-[3-(phenylsulfonyl)propanoylamino]butanoic acid Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-(3-besylpropanoylamino)-3-methyl-butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-10(2)13(14(17)18)15-12(16)8-9-21(19,20)11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,16)(H,17,18)