2-azanyl-3-phenyl-propanoic acid; 1-ethanoyl-4-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 1-ethanoyl-4-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-acetyl-4-thioxo-pyrrolidine-2-carboxylic acid; 2-amino-3-phenyl-propanoic acid CAS Name: 1-acetyl-4-sulfanylidene-2-pyrrolidinecarboxylic acid; 2-amino-3-phenylpropanoic acid IUPAC Name: 1-acetyl-4-sulfanylidenepyrrolidine-2-carboxylic acid; 2-amino-3-phenylpropanoic acid Traditional Name: 1-acetyl-4-thioxo-proline; 2-amino-3-phenyl-propionic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C7H9NO3S/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-4(9)8-3-5(12)2-6(8)7(10)11/h1-5,8H,6,10H2,(H,11,12);6H,2-3H2,1H3,(H,10,11)