3-[3-[2-(methylamino)ethanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-[2-(methylamino)ethanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[[2-(methylamino)acetyl]amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[2-(methylamino)-1-oxoethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[[2-(methylamino)acetyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(3-pyridyl)-3-[[3-(sarcosylamino)phenyl]thio]propionic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC1=CC(=CC=C1)SC(CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CNCC(=O)NC1=CC(=CC=C1)SC(CC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C17H19N3O3S/c1-18-11-16(21)20-13-5-2-6-14(8-13)24-15(9-17(22)23)12-4-3-7-19-10-12/h2-8,10,15,18H,9,11H2,1H3,(H,20,21)(H,22,23)