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- Title
The Structure of Pyroergotamine.
- Authors
Day, Roberata O.; Day, Victor W.; Wheeler, Desmond M. S.; Stadler, Paul A.; Loosli, Hans-Rudolf
- Abstract
The molecular structure of pyroergotamine has been determined by single-crystal X-ray diffraction analysis to be the pyruvoyldiketopiperazine 1. The diketopiperazine ring exists in a folded or boat conformation, with a dihedral angle of 40° between the two almost planar peptide units. The R-group of the phenylalanine residue occupies a quasi-axial position of the diketopiperazine ring, while that of the proline residue is in a quasi-equatorial position. Puzzling spectroscopic and chemical properties of the compound can be rationalised in terms of crowding within the molecule.
- Publication
Helvetica Chimica Acta, 1985, Vol 68, Issue 3, p724
- ISSN
0018-019X
- Publication type
Article
- DOI
10.1002/hlca.19850680322