Abstract
The paper deals with the attempts to predict the molecular structure of cyclotriprolyl, a cyclic peptide which has been synthesized recently. Model building shows that, in this structure, all the peptide units have to be in the cis-conformation. It is further found that the structure derived using cis-peptide units having the same dimensions as the Pauling-Corey trans-unit, besides containing extremely short H a ··· H a non-bonded interaction, also makes the proline ring-closure impossible. Stereochemical studies using contact criteria show that a satisfactory structure is possible with cis-peptide units having a non-planarity Δω of approximately −25°.
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