bis[4-[(1-carbamimidoylpiperidin-4-yl)methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate

Systemtic Name: bis[4-[(1-carbamimidoylpiperidin-4-yl)methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Openeye Name: bis[4-[(1-carbamimidoyl-4-piperidyl)methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[4-[[(1-carbamimidoyl-4-piperidinyl)methylamino]-oxomethyl]-1-piperazinyl] ester IUPAC Name: bis[4-[(1-carbamimidoylpiperidin-4-yl)methylcarbamoyl]piperazin-1-yl] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[4-[(1-amidino-4-piperidyl)methylcarbamoyl]piperazino] ester Formula: C34H60N12O6 MolecularWeight: 732.917

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)NCC3CCN(CC3)C(=N)N)C(=O)ON4CCN(CC4)C(=O)NCC5CCN(CC5)C(=N)N

Isomeric SMILES

C1CC(CCCC(C1)C(=O)ON2CCN(CC2)C(=O)NCC3CCN(CC3)C(=N)N)C(=O)ON4CCN(CC4)C(=O)NCC5CCN(CC5)C(=N)N

InChI

InChI=1S/C34H60N12O6/c35-31(36)41-11-7-25(8-12-41)23-39-33(49)43-15-19-45(20-16-43)51-29(47)27-3-1-4-28(6-2-5-27)30(48)52-46-21-17-44(18-22-46)34(50)40-24-26-9-13-42(14-10-26)32(37)38/h25-28H,1-24H2,(H3,35,36)(H3,37,38)(H,39,49)(H,40,50)