2-[(3-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]propanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-4-oxo-4-phenyl-butanoyl)amino]propanoic acid CAS Name: 2-[[3-(acetylthio)-1,4-dioxo-4-phenylbutyl]amino]propanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-4-oxo-4-phenylbutanoyl)amino]propanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-phenyl-butanoyl]amino]propionic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5S/c1-9(15(20)21)16-13(18)8-12(22-10(2)17)14(19)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)(H,20,21)