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

Systemtic Name: 2-[(2-methyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(2-methyl-4-oxo-4-phenyl-butanoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(2-methyl-1,4-dioxo-4-phenylbutyl)amino]propanoic acid IUPAC Name: 2-[(2-methyl-4-oxo-4-phenylbutanoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(4-keto-2-methyl-4-phenyl-butanoyl)amino]-3-mercapto-propionic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S/c1-9(13(17)15-11(8-20)14(18)19)7-12(16)10-5-3-2-4-6-10/h2-6,9,11,20H,7-8H2,1H3,(H,15,17)(H,18,19)