4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-(3-phenylpropyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-(3-phenylpropyl)amino]cyclohexanecarboxylic acid Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N(CCCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)N(CCCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H38N4O3/c30-27(31)22-8-12-25(13-9-22)32-19-16-23(17-20-32)28(34)33(18-4-7-21-5-2-1-3-6-21)26-14-10-24(11-15-26)29(35)36/h1-3,5-6,8-9,12-13,23-24,26H,4,7,10-11,14-20H2,(H3,30,31)(H,35,36)