[5-[4-[[4-[bis(azanyl)methylideneamino]phenyl]methylcarbamoyl]piperazin-1-yl]carbonyloxycyclooctyl] 4-(5-imidazol-1-ylpentanoyl)piperazine-1-carboxylate

Systemtic Name: [5-[4-[[4-[bis(azanyl)methylideneamino]phenyl]methylcarbamoyl]piperazin-1-yl]carbonyloxycyclooctyl] 4-(5-imidazol-1-ylpentanoyl)piperazine-1-carboxylate Openeye Name: [5-[4-[(4-guanidinophenyl)methylcarbamoyl]piperazine-1-carbonyl]oxycyclooctyl] 4-(5-imidazol-1-ylpentanoyl)piperazine-1-carboxylate CAS Name: 4-[5-(1-imidazolyl)-1-oxopentyl]-1-piperazinecarboxylic acid [5-[[4-[[[4-(diaminomethylideneamino)phenyl]methylamino]-oxomethyl]-1-piperazinyl]-oxomethoxy]cyclooctyl] ester IUPAC Name: [5-[4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazine-1-carbonyl]oxycyclooctyl] 4-(5-imidazol-1-ylpentanoyl)piperazine-1-carboxylate Traditional Name: 4-(5-imidazol-1-ylpentanoyl)piperazine-1-carboxylic acid [5-[4-[(4-guanidinobenzyl)carbamoyl]piperazine-1-carbonyl]oxycyclooctyl] ester Formula: C35H52N10O6 MolecularWeight: 708.85078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)OC(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)N=C(N)N)OC(=O)N4CCN(CC4)C(=O)CCCCN5C=CN=C5

Isomeric SMILES

C1CC(CCCC(C1)OC(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)N=C(N)N)OC(=O)N4CCN(CC4)C(=O)CCCCN5C=CN=C5

InChI

InChI=1S/C35H52N10O6/c36-32(37)40-28-12-10-27(11-13-28)25-39-33(47)43-19-23-45(24-20-43)35(49)51-30-7-3-5-29(6-4-8-30)50-34(48)44-21-17-42(18-22-44)31(46)9-1-2-15-41-16-14-38-26-41/h10-14,16,26,29-30H,1-9,15,17-25H2,(H,39,47)(H4,36,37,40)