(2S)-2-[(1-cyano-4-oxidanyl-isoquinolin-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(1-cyano-4-oxidanyl-isoquinolin-3-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(1-cyano-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(1-cyano-4-hydroxyisoquinoline-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(1-cyano-4-hydroxy-isoquinoline-3-carbonyl)amino]propionic acid Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=N1)C#N)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=N1)C#N)O

InChI

InChI=1S/C14H11N3O4/c1-7(14(20)21)16-13(19)11-12(18)9-5-3-2-4-8(9)10(6-15)17-11/h2-5,7,18H,1H3,(H,16,19)(H,20,21)/t7-/m0/s1