2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-phenyl-butanoic acid Openeye Name: 2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-carboxy-3-(methylthio)propyl]amino]-4-phenyl-butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-21-10-9-13(15(19)20)16-12(14(17)18)8-7-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10H2,1H3,(H,17,18)(H,19,20)