4-methylsulfonyl-2-(3-phenylpropanoylamino)butanoic acid

Systemtic Name: 4-methylsulfonyl-2-(3-phenylpropanoylamino)butanoic acid Openeye Name: 4-methylsulfonyl-2-(3-phenylpropanoylamino)butanoic acid CAS Name: 4-methylsulfonyl-2-[(1-oxo-3-phenylpropyl)amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-(3-phenylpropanoylamino)butanoic acid Traditional Name: 2-(hydrocinnamoylamino)-4-mesyl-butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO5S/c1-21(19,20)10-9-12(14(17)18)15-13(16)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,16)(H,17,18)