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

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; methyl 1-(2-pyridin-3-ylethanoyl)-4-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 1-[2-(3-pyridyl)acetyl]-4-thioxo-pyrrolidine-2-carboxylate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 1-[1-oxo-2-(3-pyridinyl)ethyl]-4-sulfanylidene-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 1-(2-pyridin-3-ylacetyl)-4-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 1-[2-(3-pyridyl)acetyl]-4-thioxo-pyrrolidine-2-carboxylic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=S)CN1C(=O)CC2=CN=CC=C2.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

COC(=O)C1CC(=S)CN1C(=O)CC2=CN=CC=C2.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C13H14N2O3S.C9H11NO3/c1-18-13(17)11-6-10(19)8-15(11)12(16)5-9-3-2-4-14-7-9;10-8(9(12)13)5-6-1-3-7(11)4-2-6/h2-4,7,11H,5-6,8H2,1H3;1-4,8,11H,5,10H2,(H,12,13)