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

Systemtic Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H26N6O3/c19-16(20)13-3-6-15(21-11-13)23-7-9-24(10-8-23)18(27)22-14-4-1-12(2-5-14)17(25)26/h3,6,11-12,14H,1-2,4-5,7-10H2,(H3,19,20)(H,22,27)(H,25,26)