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通过C6/C7氢键稳定的末端保护的βγ杂合二肽Boc-Ant-Gpn-OMe的构象。

Conformation of a terminally protected βγ hybrid dipeptide Boc-Ant-Gpn-OMe stabilized by C6/C7 hydrogen bonds.

作者信息

Wani Naiem Ahmad, Gupta Vivek Kumar, Kant Rajni, Aravinda Subrayashastry, Rai Rajkishor

机构信息

Medicinal Chemistry Division, Indian Institute of Integrative Medicine, Canal Road, Jammu Tawi 180 001, India.

X-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.

出版信息

Acta Crystallogr C Struct Chem. 2014 Jan;70(Pt 1):46-9. doi: 10.1107/S2053229613033044. Epub 2013 Dec 14.

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.

摘要

杂合βγ二肽,2-[1-({2-[(叔丁氧羰基)氨基]苯甲酰胺基}甲基)环己基]乙酸甲酯(Boc-Ant-Gpn-OMe),C22H32N2O5,采用一种折叠构象,该构象通过分子内六元(C6)和七元(C7)氢键环以及弱的C-H...O和C-H...π相互作用得以稳定,从而形成一种带状结构。

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