4-[[2-(2-azanyl-2-oxidanylidene-ethyl)-6-(4-carbamimidoylphenyl)-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(2-azanyl-2-oxidanylidene-ethyl)-6-(4-carbamimidoylphenyl)-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(2-amino-2-oxo-ethyl)-6-(4-carbamimidoylphenyl)-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(2-amino-2-oxoethyl)-6-(4-carbamimidoylphenyl)-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(2-amino-2-oxoethyl)-6-(4-carbamimidoylphenyl)-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-2-(2-amino-2-keto-ethyl)-3-keto-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C21H24N6O5 MolecularWeight: 440.45246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN(C2=O)CC(=O)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN(C2=O)CC(=O)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N6O5/c22-17(28)10-27-20(30)15(19(29)25-14-7-5-13(6-8-14)21(31)32)9-16(26-27)11-1-3-12(4-2-11)18(23)24/h1-4,9,13-14H,5-8,10H2,(H2,22,28)(H3,23,24)(H,25,29)(H,31,32)