pyridin-2-ylmethyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: pyridin-2-ylmethyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 2-pyridylmethyl 4-[[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid 2-pyridylmethyl ester Formula: C24H31N7O3 MolecularWeight: 465.54804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OCC2=CC=CC=N2)NC(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)OCC2=CC=CC=N2)NC(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H31N7O3/c25-22(26)18-6-9-21(28-15-18)30-11-13-31(14-12-30)24(33)29-19-7-4-17(5-8-19)23(32)34-16-20-3-1-2-10-27-20/h1-3,6,9-10,15,17,19H,4-5,7-8,11-14,16H2,(H3,25,26)(H,29,33)