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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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