tert-butyl 4-cyclohexyl-4-[3-[phenacyl-(N'-phenacylcarbamimidoyl)amino]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-cyclohexyl-4-[3-[phenacyl-(N'-phenacylcarbamimidoyl)amino]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-cyclohexyl-4-[3-[phenacyl-(N'-phenacylcarbamimidoyl)amino]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[[amino(phenacylimino)methyl]-phenacylamino]propyl]-4-cyclohexyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyclohexyl-4-[3-[phenacyl-(N'-phenacylcarbamimidoyl)amino]propyl]piperidine-1-carboxylate Traditional Name: 4-cyclohexyl-4-[3-[phenacyl-(N'-phenacylamidino)amino]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C36H50N4O4 MolecularWeight: 602.8066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CCCN(CC(=O)C2=CC=CC=C2)C(=NCC(=O)C3=CC=CC=C3)N)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CCCN(CC(=O)C2=CC=CC=C2)C(=NCC(=O)C3=CC=CC=C3)N)C4CCCCC4

InChI

InChI=1S/C36H50N4O4/c1-35(2,3)44-34(43)39-24-21-36(22-25-39,30-18-11-6-12-19-30)20-13-23-40(27-32(42)29-16-9-5-10-17-29)33(37)38-26-31(41)28-14-7-4-8-15-28/h4-5,7-10,14-17,30H,6,11-13,18-27H2,1-3H3,(H2,37,38)