2-[(5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)amino]propanoic acid CAS Name: 3-hydroxy-2-[[(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)amino]propanoic acid Traditional Name: 3-hydroxy-2-[(6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)amino]propionic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C16H16N4O5/c1-19-6-12-13(14(22)18-10(7-21)16(24)25)17-8-20(12)11-5-3-2-4-9(11)15(19)23/h2-5,8,10,21H,6-7H2,1H3,(H,18,22)(H,24,25)