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

Systemtic Name: 2-methylpropyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: isobutyl 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-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H34N6O3 MolecularWeight: 430.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H34N6O3/c1-15(2)14-31-21(29)16-3-6-18(7-4-16)26-22(30)28-11-9-27(10-12-28)19-8-5-17(13-25-19)20(23)24/h5,8,13,15-16,18H,3-4,6-7,9-12,14H2,1-2H3,(H3,23,24)(H,26,30)