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

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)-2-(2-morpholino-2-oxo-ethyl)-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-2-[2-(4-morpholinyl)-2-oxoethyl]-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-3-keto-2-(2-keto-2-morpholino-ethyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C25H30N6O6 MolecularWeight: 510.5423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN(C2=O)CC(=O)N3CCOCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN(C2=O)CC(=O)N3CCOCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H30N6O6/c26-22(27)16-3-1-15(2-4-16)20-13-19(23(33)28-18-7-5-17(6-8-18)25(35)36)24(34)31(29-20)14-21(32)30-9-11-37-12-10-30/h1-4,13,17-18H,5-12,14H2,(H3,26,27)(H,28,33)(H,35,36)