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N,N′-Bis(methoxycarbonylmethyl)terephthalamide (2001)

Armelin, Elaine ; Escudero, Encarnación ; Campos, Lourdes ; [et al.]

Oxford [u.a.] : International Union of Crystallography (IUCr)

Acta crystallographica 57 (2001), S. 172-173

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ISSN: 1600-5759

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: Molecules of the title compound, dimethyl N,N′-(1,4-benzenedicarboxamido)diacetate, C14H16N2O6, lie on inversion centres and are hydrogen bonded along a single direction that runs parallel to the crystallographic b axis. Glycine residues adopt a conformation which deviates slightly from that characteristic of the polyglycine II structure. An angle close to 27° is found between the planar amide groups and the plane of the aromatic ring.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0108270100014864

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Crystal Structure and Molecular Conformation of the Cyclic Hexapeptide cyclo-(Gly-Aib-Gly)2 (1996)

Escudero, Encarnacion ; Vidal, Xavier ; Solans, Xavier ; [et al.]

New York, NY [u.a.] : Wiley-Blackwell

Journal of Peptide Science 2 (1996), S. 59-65

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ISSN: 1075-2617

Keywords: Aminoisobutyric acid ; glycine ; cyclic peptides ; X-ray diffraction ; β-turns ; Chemistry ; Biochemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: We have synthesized and crystallized the cyclic peptide (Gly-Aib-Gly) 2. Its structure has been determined by conventional X-ray diffracti on methods. In the crystal it adopts a conformation with one β-turn (type I) and its mirror image at the other side of the ring. All conformation al angles are similar to those reported for these amino acid residues. In particular the Aib residue has a conformation intermediate between α- and 310-helical conformations. The ring is an adequate model for the β-turn conformation. A molecule of formic acid is found in the crystal which shows a very short hydrogen bond with one of the glycine carbonyl groups.

Additional Material: 2 Ill.