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

Systemtic Name: 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyrimidinyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(5-carbamimidoylpyrimidin-2-yl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(5-amidinopyrimidin-2-yl)isonipecotoyl]amino]cyclohexanecarboxylic acid Formula: C18H26N6O3 MolecularWeight: 374.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=NC=C(C=N3)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=NC=C(C=N3)C(=N)N

InChI

InChI=1S/C18H26N6O3/c19-15(20)13-9-21-18(22-10-13)24-7-5-11(6-8-24)16(25)23-14-3-1-12(2-4-14)17(26)27/h9-12,14H,1-8H2,(H3,19,20)(H,23,25)(H,26,27)