2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pyridine-4-carboxylic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pyridine-4-carboxylic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]pyridine-4-carboxylic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-pyridinecarboxylic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]pyridine-4-carboxylic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]isonicotinic 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=NC=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

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