2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 1-ethanoyl-4-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 1-ethanoyl-4-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-acetyl-4-thioxo-pyrrolidine-2-carboxylic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid CAS Name: 1-acetyl-4-sulfanylidene-2-pyrrolidinecarboxylic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 1-acetyl-4-sulfanylidenepyrrolidine-2-carboxylic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 1-acetyl-4-thioxo-proline; 2-amino-3-(4-hydroxyphenyl)propionic acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=S)CC1C(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

CC(=O)N1CC(=S)CC1C(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C9H11NO3.C7H9NO3S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-4(9)8-3-5(12)2-6(8)7(10)11/h1-4,8,11H,5,10H2,(H,12,13);6H,2-3H2,1H3,(H,10,11)