(3S)-3-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: (3S)-3-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: (3S)-3-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-[[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: (3S)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-3-(4-methylphenyl)propanoic acid Traditional Name: (3S)-3-[(6-keto-1-methyl-pyridazine-3-carbonyl)amino]-3-(p-tolyl)propionic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=NN(C(=O)C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)C2=NN(C(=O)C=C2)C

InChI

InChI=1S/C16H17N3O4/c1-10-3-5-11(6-4-10)13(9-15(21)22)17-16(23)12-7-8-14(20)19(2)18-12/h3-8,13H,9H2,1-2H3,(H,17,23)(H,21,22)/t13-/m0/s1