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

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; methyl 1-ethanoyl-3-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 1-acetyl-3-thioxo-pyrrolidine-2-carboxylate CAS Name: 1-acetyl-3-sulfanylidene-2-pyrrolidinecarboxylic acid methyl ester; 2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 1-acetyl-3-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: 1-acetyl-3-thioxo-pyrrolidine-2-carboxylic acid methyl ester; 2-amino-3-(4-hydroxyphenyl)propionic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(=S)C1C(=O)OC.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

CC(=O)N1CCC(=S)C1C(=O)OC.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C9H11NO3.C8H11NO3S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-5(10)9-4-3-6(13)7(9)8(11)12-2/h1-4,8,11H,5,10H2,(H,12,13);7H,3-4H2,1-2H3