5-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 5-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pyridine-3-carboxylic acid Openeye Name: 5-[(2-benzyl-3-sulfanyl-propanoyl)amino]pyridine-3-carboxylic acid CAS Name: 5-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[(2-benzyl-3-sulfanylpropanoyl)amino]pyridine-3-carboxylic acid Traditional Name: 5-[(2-benzyl-3-mercapto-propanoyl)amino]nicotinic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CN=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CN=CC(=C2)C(=O)O

InChI

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