4-[4-(5-carbamimidoylpyridin-2-yl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-(5-carbamimidoylpyridin-2-yl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[4-(5-carbamimidoyl-2-pyridyl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexanecarboxylic acid CAS Name: 4-[4-(5-carbamimidoyl-2-pyridinyl)-3-(methylcarbamoyl)-1-piperazinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-(5-carbamimidoylpyridin-2-yl)-3-(methylcarbamoyl)piperazin-1-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[4-(5-amidino-2-pyridyl)-3-(methylcarbamoyl)piperazino]cyclohexanecarboxylic acid Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C2=NC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)O

Isomeric SMILES

CNC(=O)C1CN(CCN1C2=NC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H28N6O3/c1-22-18(26)15-11-24(14-5-2-12(3-6-14)19(27)28)8-9-25(15)16-7-4-13(10-23-16)17(20)21/h4,7,10,12,14-15H,2-3,5-6,8-9,11H2,1H3,(H3,20,21)(H,22,26)(H,27,28)