2-azanyl-3-[4-(phenylcarbonyl)phenyl]propanoic acid; 1-ethanoyl-4-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-azanyl-3-[4-(phenylcarbonyl)phenyl]propanoic acid; 1-ethanoyl-4-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-acetyl-4-thioxo-pyrrolidine-2-carboxylic acid; 2-amino-3-(4-benzoylphenyl)propanoic acid CAS Name: 1-acetyl-4-sulfanylidene-2-pyrrolidinecarboxylic acid; 2-amino-3-(4-benzoylphenyl)propanoic acid IUPAC Name: 1-acetyl-4-sulfanylidenepyrrolidine-2-carboxylic acid; 2-amino-3-(4-benzoylphenyl)propanoic acid Traditional Name: 1-acetyl-4-thioxo-proline; 2-amino-3-(4-benzoylphenyl)propionic acid Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=S)CC1C(=O)O.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC(C(=O)O)N

Isomeric SMILES

CC(=O)N1CC(=S)CC1C(=O)O.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC(C(=O)O)N

InChI

InChI=1S/C16H15NO3.C7H9NO3S/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12;1-4(9)8-3-5(12)2-6(8)7(10)11/h1-9,14H,10,17H2,(H,19,20);6H,2-3H2,1H3,(H,10,11)