3-oxidanyl-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-oxidanyl-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]propanoic acid Openeye Name: 3-hydroxy-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[(1-keto-2H-isoquinoline-3-carbonyl)amino]propionic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H12N2O5/c16-6-10(13(19)20)15-12(18)9-5-7-3-1-2-4-8(7)11(17)14-9/h1-5,10,16H,6H2,(H,14,17)(H,15,18)(H,19,20)