4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[benzyl-[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[benzyl-[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]-benzyl-amino]cyclohexanecarboxylic acid Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)N(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H32N6O3/c26-23(27)20-8-11-22(28-16-20)29-12-14-30(15-13-29)25(34)31(17-18-4-2-1-3-5-18)21-9-6-19(7-10-21)24(32)33/h1-5,8,11,16,19,21H,6-7,9-10,12-15,17H2,(H3,26,27)(H,32,33)