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

Systemtic Name: 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[benzyl-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[benzyl-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]-benzyl-amino]cyclohexanecarboxylic acid Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O3/c27-24(28)20-6-10-22(11-7-20)29-14-16-30(17-15-29)26(34)31(18-19-4-2-1-3-5-19)23-12-8-21(9-13-23)25(32)33/h1-7,10-11,21,23H,8-9,12-18H2,(H3,27,28)(H,32,33)