Conformational study of alanine and α‐aminoisobutyric Ψ[NHCO]‐retroamide peptide analogues
- 1 March 1994
- journal article
- research article
- Published by Wiley in International Journal of Peptide and Protein Research
- Vol. 43 (3), 258-263
- https://doi.org/10.1111/j.1399-3011.1994.tb00388.x
Abstract
The minimum-energy conformations of N,N'-dimethyl-2-methylmalondiamide (2mMA) and N,N'-dimethyl-2-dimethylmalondiamide (2dmMA) have been computed using the AM1 method. The results show that molecules tend to form an intramolecular six-membered ring hydrogen-bond system. The same trend is observed in crystals of malonamide derivatives substituted in the central carbon atom. The results are also compared with previous molecular-mechanics calculations. The conformational trends of 2mMA and 2dmMA are very similar to those showed by N,N'-dimethylmalondiamide. Details of the computed conformational energy maps for 2mMA and 2dmMA compounds are given.Keywords
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