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

Systemtic Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[benzyl-[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]-benzyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H34N6O3/c1-35-25(33)20-7-10-22(11-8-20)32(18-19-5-3-2-4-6-19)26(34)31-15-13-30(14-16-31)23-12-9-21(17-29-23)24(27)28/h2-6,9,12,17,20,22H,7-8,10-11,13-16,18H2,1H3,(H3,27,28)