3-phenyl-2-[(2-pyridin-4-yl-2-sulfanyl-ethanoyl)amino]propanoic acid

Systemtic Name: 3-phenyl-2-[(2-pyridin-4-yl-2-sulfanyl-ethanoyl)amino]propanoic acid Openeye Name: 3-phenyl-2-[[2-(4-pyridyl)-2-sulfanyl-acetyl]amino]propanoic acid CAS Name: 2-[(2-mercapto-1-oxo-2-pyridin-4-ylethyl)amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[(2-pyridin-4-yl-2-sulfanylacetyl)amino]propanoic acid Traditional Name: 2-[[2-mercapto-2-(4-pyridyl)acetyl]amino]-3-phenyl-propionic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(C2=CC=NC=C2)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(C2=CC=NC=C2)S

InChI

InChI=1S/C16H16N2O3S/c19-15(14(22)12-6-8-17-9-7-12)18-13(16(20)21)10-11-4-2-1-3-5-11/h1-9,13-14,22H,10H2,(H,18,19)(H,20,21)