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[17] Structures of 7a and 7b were built using the INSIGHT II molecular modelling program (version 2.1.0, San Diego: Biosym Technologies 1995 on an IRIS Silicon Graphics workstation). The ring conformations were initially fixed as those provided by another molecular mechanics calculations and NMR studies on related 2-phenylcyclohexanamino acids. The peptide bonds were orientated in a trans disposition. The CVFF and CFF91 force fields were used to optimize the molecular geometry. CVFF: (a) Dauber-Osguthorpe, P.; Roberts, V. A.; Osguthorpe, D. J.; Wolff, J.; Genest, M.; Hagler, A. T. Proteins: Structure, Function and Genetics 1988, 4, 31.
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(b) Ball, J. B.; Hughes, R. A.; Alewood, P. F.; Andrews, P. R. Tetrahedron 1993, 49, 3467.
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44
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85038552126
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note
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w-values of 0.1599 and 0.1969 respectively. Complete data have been deposited at the Cambridge Crystallographic Data Centre.
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45
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85038541468
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6Phe amino acids are in accordance with those described by us in the literature: ref. 7
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6Phe amino acids are in accordance with those described by us in the literature: ref. 7
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