title: Conformation of a terminally protected βγ hybrid dipeptide Boc-Ant-Gpn-OMe stabilized by C6/C7 hydrogen bonds.
abstract: The hybrid βγ dipeptide, methyl 2-[1-({2-[(tert-butoxycarbonyl)amino]benzamido}methyl)cyclohexyl]acetate (Boc-Ant-Gpn-OMe), C22H32N2O5, adopts a folded conformation stabilized by intramolecular six- (C6) and seven-membered (C7) hydrogen-bonded rings, together with weak C-H...O and C-H...π interactions, resulting in a ribbon-like structure.
authors.affiliation: Medicinal Chemistry Division, Indian Institute of Integrative Medicine, Canal Road, Jammu Tawi 180 001, India.
authors.forename: Naiem Ahmad
authors.initials: NA
authors.lastname: Wani
authors.affiliation: X-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.
authors.forename: Vivek Kumar
authors.initials: VK
authors.lastname: Gupta
authors.affiliation: X-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.
authors.forename: Rajni
authors.initials: R
authors.lastname: Kant
authors.affiliation: Medicinal Chemistry Division, Indian Institute of Integrative Medicine, Canal Road, Jammu Tawi 180 001, India.
authors.forename: Subrayashastry
authors.initials: S
authors.lastname: Aravinda
authors.affiliation: Medicinal Chemistry Division, Indian Institute of Integrative Medicine, Canal Road, Jammu Tawi 180 001, India.
authors.forename: Rajkishor
authors.initials: R
authors.lastname: Rai
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D001549:Benzamides / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003510:Cyclohexanes / Q000737:chemistry*; D004151:Dipeptides / Q000737:chemistry*; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D015394:Molecular Structure
chemical_list: D000596:Amino Acids; D001549:Benzamides; D003510:Cyclohexanes; D004151:Dipeptides; C000588704:methyl 2-(1-((2-((tert-butoxycarbonyl)amino)benzamido)methyl)cyclohexyl)acetate
keywords: conformation; crystal structure; hybrid peptide; hydrogen bonding; β- and γ-amino acids