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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CN=CC=C1)C(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CC(C(=O)O)N(C1=CN=CC=C1)C(=O)C(CC2=CC=CC=C2)CS

InChI

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