(2S)-3-methyl-2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]butanoic acid IUPAC Name: (2S)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]-3-methyl-butyric acid Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=NN(C(=O)C=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=NN(C(=O)C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H19N3O4/c1-11(2)15(17(23)24)18-16(22)13-8-9-14(21)20(19-13)10-12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3,(H,18,22)(H,23,24)/t15-/m0/s1