(2R)-N-(4-azanylcyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-ethanoyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(phenethyl)amino]pipecolinamide Formula: C29H46N4O2 MolecularWeight: 482.70114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4CCCCC4

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NC2CCC(CC2)N)N(CCC3=CC=CC=C3)CC4CCCCC4

InChI

InChI=1S/C29H46N4O2/c1-22(34)33-19-17-27(20-28(33)29(35)31-26-14-12-25(30)13-15-26)32(21-24-10-6-3-7-11-24)18-16-23-8-4-2-5-9-23/h2,4-5,8-9,24-28H,3,6-7,10-21,30H2,1H3,(H,31,35)/t25?,26?,27?,28-/m1/s1