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

Systemtic Name: 4-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[2-(4-carbamimidoylphenyl)-3-methyl-5-imidazo[4,5-b]pyridinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]amino]cyclohexanecarboxylic acid Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=N2)NC3CCC(CC3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=CC(=N2)NC3CCC(CC3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C21H24N6O2/c1-27-19(13-4-2-12(3-5-13)18(22)23)25-16-10-11-17(26-20(16)27)24-15-8-6-14(7-9-15)21(28)29/h2-5,10-11,14-15H,6-9H2,1H3,(H3,22,23)(H,24,26)(H,28,29)