cyclopentylmethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate

Systemtic Name: cyclopentylmethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: cyclopentylmethyl 4-[benzyl-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid cyclopentylmethyl ester IUPAC Name: cyclopentylmethyl 4-[benzyl-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]-benzyl-amino]cyclohexanecarboxylic acid cyclopentylmethyl ester Formula: C32H43N5O3 MolecularWeight: 545.71552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)COC(=O)C2CCC(CC2)N(CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CCC(C1)COC(=O)C2CCC(CC2)N(CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C32H43N5O3/c33-30(34)26-10-14-28(15-11-26)35-18-20-36(21-19-35)32(39)37(22-24-6-2-1-3-7-24)29-16-12-27(13-17-29)31(38)40-23-25-8-4-5-9-25/h1-3,6-7,10-11,14-15,25,27,29H,4-5,8-9,12-13,16-23H2,(H3,33,34)