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

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)amino]propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl)amino]propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]amino]propanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)amino]propanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-2-methyl-4-phenyl-butanoyl]amino]propionic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5S/c1-9(15(20)17-10(2)16(21)22)14(23-11(3)18)13(19)12-7-5-4-6-8-12/h4-10,14H,1-3H3,(H,17,20)(H,21,22)