(2R)-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2R)-2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2R)-2-[[(1-chloro-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2R)-2-[(1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]-3-methyl-butyric acid Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O4/c1-7(2)10(15(21)22)18-14(20)11-12(19)8-5-3-4-6-9(8)13(16)17-11/h3-7,10,19H,1-2H3,(H,18,20)(H,21,22)/t10-/m1/s1