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

Systemtic Name: propan-2-yl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: isopropyl 4-[[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid isopropyl ester Formula: C22H34N6O3 MolecularWeight: 430.54376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O3/c1-15(2)31-21(29)16-4-7-18(8-5-16)26(3)22(30)28-12-10-27(11-13-28)19-9-6-17(14-25-19)20(23)24/h6,9,14-16,18H,4-5,7-8,10-13H2,1-3H3,(H3,23,24)