4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(5-carbamimidoyl-2-pyridyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(5-amidino-2-pyridyl)isonipecotoyl]amino]cyclohexanecarboxylic acid Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H27N5O3/c20-17(21)14-3-6-16(22-11-14)24-9-7-12(8-10-24)18(25)23-15-4-1-13(2-5-15)19(26)27/h3,6,11-13,15H,1-2,4-5,7-10H2,(H3,20,21)(H,23,25)(H,26,27)