methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]-(2-morpholino-2-oxo-ethyl)amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]-[2-(4-morpholinyl)-2-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]-(2-keto-2-morpholino-ethyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C25H37N7O5 MolecularWeight: 515.60518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CC(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CC(=O)N2CCOCC2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H37N7O5/c1-36-24(34)18-2-5-20(6-3-18)32(17-22(33)30-12-14-37-15-13-30)25(35)31-10-8-29(9-11-31)21-7-4-19(16-28-21)23(26)27/h4,7,16,18,20H,2-3,5-6,8-15,17H2,1H3,(H3,26,27)