4-[[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]-methyl-amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]-methyl-amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]-methyl-amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-3-methyl-5-imidazo[4,5-b]pyridinyl]-methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]-methylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]-methyl-amino]methyl]cyclohexanecarboxylic acid Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=N2)N(C)CC3CCC(CC3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=CC(=N2)N(C)CC3CCC(CC3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H28N6O2/c1-28(13-14-3-5-17(6-4-14)23(30)31)19-12-11-18-22(27-19)29(2)21(26-18)16-9-7-15(8-10-16)20(24)25/h7-12,14,17H,3-6,13H2,1-2H3,(H3,24,25)(H,30,31)