4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[benzyl-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[benzyl-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-benzyl-amino]cyclohexanecarboxylic acid Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H34N4O3/c28-25(29)20-6-10-23(11-7-20)30-16-14-21(15-17-30)26(32)31(18-19-4-2-1-3-5-19)24-12-8-22(9-13-24)27(33)34/h1-7,10-11,21-22,24H,8-9,12-18H2,(H3,28,29)(H,33,34)