4-[[3-azanyl-6-(4-carbamimidoylphenyl)pyridazin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-azanyl-6-(4-carbamimidoylphenyl)pyridazin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-amino-6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[[3-amino-6-(4-carbamimidoylphenyl)-4-pyridazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-amino-6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-3-amino-pyridazine-4-carbonyl]-methyl-amino]cyclohexanecarboxylic acid Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)O)C(=O)C2=CC(=NN=C2N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)O)C(=O)C2=CC(=NN=C2N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H24N6O3/c1-26(14-8-6-13(7-9-14)20(28)29)19(27)15-10-16(24-25-18(15)23)11-2-4-12(5-3-11)17(21)22/h2-5,10,13-14H,6-9H2,1H3,(H3,21,22)(H2,23,25)(H,28,29)