Structures of cyclic dipeptides: An X-ray and computational study of cis- and trans-cyclo(Pip-Phe), cyclo(Pro-Phe) and their N-methyl derivatives

Acta Crystallographica Section B: Structural Science

Volumn 66, Issue 6, 2010, Pages 662-677

  Budesinsky, Milos ^a   Cisarova, Ivana ^b   Podlaha, Jaroslav ^b   Borremans, Frans ^c   Martins, José C ^c   Waroquier, Michel ^c   Pauwels, Ewald ^c  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b CHARLES UNIVERSITY   (Czech Republic)

^c GHENT UNIVERSITY   (Belgium)

Author keywords

cluster in vacuo; cyclic dipeptides; periodic approach

Indexed keywords

ALKYLATION; AMINO ACIDS; COMPUTATION THEORY; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; INDIUM COMPOUNDS; MOLECULES; ONE DIMENSIONAL; PEPTIDES;

CLUSTER IN VACUO; COMPUTATIONAL STUDIES; DI-PEPTIDES; HYDROGEN BONDING INTERACTIONS; INTERMOLECULAR INTERACTIONS; MOLECULAR CONFORMATION; PERIODIC APPROACH; PERIODIC CALCULATIONS;

CONFORMATIONS;

AMINO ACID; CYCLOPEPTIDE; DIPEPTIDE; PHENYLALANINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; X RAY CRYSTALLOGRAPHY;

AMINO ACIDS; CRYSTALLOGRAPHY, X-RAY; DIPEPTIDES; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PEPTIDES, CYCLIC; PHENYLALANINE;

EID: 78649593599     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768110040243     Document Type: Article

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