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

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-pentyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-pentyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-pentylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-pentylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-amyl-amino]cyclohexanecarboxylic acid Formula: C25H38N4O3 MolecularWeight: 442.59422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1CCC(CC1)C(=O)O)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCCN(C1CCC(CC1)C(=O)O)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H38N4O3/c1-2-3-4-15-29(22-11-7-20(8-12-22)25(31)32)24(30)19-13-16-28(17-14-19)21-9-5-18(6-10-21)23(26)27/h5-6,9-10,19-20,22H,2-4,7-8,11-17H2,1H3,(H3,26,27)(H,31,32)