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

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-phenethyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-phenethylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-phenethyl-amino]cyclohexanecarboxylic acid Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N(CCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)N(CCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H36N4O3/c29-26(30)21-6-10-24(11-7-21)31-17-15-22(16-18-31)27(33)32(19-14-20-4-2-1-3-5-20)25-12-8-23(9-13-25)28(34)35/h1-7,10-11,22-23,25H,8-9,12-19H2,(H3,29,30)(H,34,35)