2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-2-pyridin-2-yl-propanoic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-2-pyridin-2-yl-propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-(2-pyridyl)propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-2-(2-pyridinyl)propanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-pyridin-2-ylpropanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-2-(2-pyridyl)propionic acid Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CC(C1=CC=CC=N1)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C18H20N2O3S/c1-18(17(22)23,15-9-5-6-10-19-15)20-16(21)14(12-24)11-13-7-3-2-4-8-13/h2-10,14,24H,11-12H2,1H3,(H,20,21)(H,22,23)