tert-butyl N-[2-[N-(N, N'-dicyclohexylureidocarbonylethyl)carbamoyl]prop-2-yl]carbamate.
The title compound, C(25)H(44)N(4)O(5), exhibits a turn with the main chain reversing direction, held together by an intramolecular N-H.O hydrogen bond. In the urea fragment, a notable amide C-N bond between the carboxyl C and the tertiary N atom shows marked single-bond character [1.437 (2) A]. The dihedral angle of the beta-alanyl residue, centrally located in the turn, is gauche [69.2 (2) degrees ]. The packing is mediated by two intermolecular hydrogen bonds and van der Waals contacts involving the methyl moieties and the cyclohexyl rings.
Banerjee
R
R
Saha Institute of Nuclear Physics, Crystallography and Molecular Biology Division, Sector 1, Block 'AF', Bidhan Nagar, Calcutta 700 064, India.
Maji
S K
SK
Banerjee
A
A
D018360:Crystallography, X-Ray; D004151:Dipeptides / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D017510:Protein Folding; D017433:Protein Structure, Secondary; D011506:Proteins / Q000737:chemistry; D014508:Urea / Q000031:analogs & derivatives* / Q000737:chemistry
D004151:Dipeptides; D011506:Proteins; C414936:tert-butyl N-(2-(N-(N,N'-dicyclohexylureidocarbonylethyl)carbamoyl)prop-2-yl)carbamate; D014508:Urea