(2S)-3-cyano-2-(quinolin-2-ylcarbonylamino)propanoic acid

Systemtic Name: (2S)-3-cyano-2-(quinolin-2-ylcarbonylamino)propanoic acid Openeye Name: (2S)-3-cyano-2-(quinoline-2-carbonylamino)propanoic acid CAS Name: (2S)-3-cyano-2-[[oxo(2-quinolinyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-cyano-2-(quinoline-2-carbonylamino)propanoic acid Traditional Name: (2S)-3-cyano-2-(quinaldoylamino)propionic acid Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC(CC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)N[C@@H](CC#N)C(=O)O

InChI

InChI=1S/C14H11N3O3/c15-8-7-12(14(19)20)17-13(18)11-6-5-9-3-1-2-4-10(9)16-11/h1-6,12H,7H2,(H,17,18)(H,19,20)/t12-/m0/s1