2-azanyl-3-oxidanylidene-3-[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]-2-(sulfanylmethyl)propanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-3-[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]-2-(sulfanylmethyl)propanoic acid Openeye Name: 2-amino-3-oxo-3-[2-phenyl-4-(3-pyridyloxymethyl)phenyl]-2-(sulfanylmethyl)propanoic acid CAS Name: 2-amino-2-(mercaptomethyl)-3-oxo-3-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-oxo-3-[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]-2-(sulfanylmethyl)propanoic acid Traditional Name: 2-amino-3-keto-2-(mercaptomethyl)-3-[2-phenyl-4-(3-pyridyloxymethyl)phenyl]propionic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)C(CS)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)C(CS)(C(=O)O)N

InChI

InChI=1S/C22H20N2O4S/c23-22(14-29,21(26)27)20(25)18-9-8-15(13-28-17-7-4-10-24-12-17)11-19(18)16-5-2-1-3-6-16/h1-12,29H,13-14,23H2,(H,26,27)