2-azanyl-3-(4-hydroxyphenyl)propanoic acid; methyl 4-sulfanylidenepyrrolidine-2-carboxylate

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; methyl 4-sulfanylidenepyrrolidine-2-carboxylate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 4-thioxopyrrolidine-2-carboxylate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 4-sulfanylidene-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 4-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 4-thioxopyrrolidine-2-carboxylic acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=S)CN1.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

COC(=O)C1CC(=S)CN1.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C9H11NO3.C6H9NO2S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-9-6(8)5-2-4(10)3-7-5/h1-4,8,11H,5,10H2,(H,12,13);5,7H,2-3H2,1H3