2-(quinolin-4-ylcarbonylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(quinolin-4-ylcarbonylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(quinoline-4-carbonylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[oxo(4-quinolinyl)methyl]amino]propanoic acid IUPAC Name: 2-(quinoline-4-carbonylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(cinchoninoylamino)-3-mercapto-propionic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CS)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c16-12(15-11(7-19)13(17)18)9-5-6-14-10-4-2-1-3-8(9)10/h1-6,11,19H,7H2,(H,15,16)(H,17,18)