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

Systemtic Name: 3-oxidanyl-2-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]butanoic acid Openeye Name: 3-hydroxy-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(1-oxo-2H-isoquinoline-3-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(1-keto-2H-isoquinoline-3-carbonyl)amino]butyric acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C(=O)N1)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2C(=O)N1)O

InChI

InChI=1S/C14H14N2O5/c1-7(17)11(14(20)21)16-13(19)10-6-8-4-2-3-5-9(8)12(18)15-10/h2-7,11,17H,1H3,(H,15,18)(H,16,19)(H,20,21)