cyclohexylmethyl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: cyclohexylmethyl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: cyclohexylmethyl 4-[[1-(5-carbamimidoyl-2-pyridyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(5-amidino-2-pyridyl)isonipecotoyl]amino]cyclohexanecarboxylic acid cyclohexylmethyl ester Formula: C26H39N5O3 MolecularWeight: 469.61956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2CCC(CC2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)COC(=O)C2CCC(CC2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H39N5O3/c27-24(28)21-8-11-23(29-16-21)31-14-12-19(13-15-31)25(32)30-22-9-6-20(7-10-22)26(33)34-17-18-4-2-1-3-5-18/h8,11,16,18-20,22H,1-7,9-10,12-15,17H2,(H3,27,28)(H,30,32)