The cyclic 16-membered pentadepsipeptide cyclo(Tro-Aib-Aib-Aib-Aib) (1) was crystallized from MeOH/ AcOEt/CH 2 Cl 2 , and its structure was established by X-ray crystallography (Fig. 1). There are two symmetryindependent molecules with different conformations in the asymmetric unit. Two intramolecular H-bonds stabilize two b-turns in each molecule. On the other hand, two of the four Aib residues are forced to assume a nonfavorable nonhelical conformation in each of the symmetry-independent molecules ( Table 1). The conformational study in CDCl 3 solution by NMR spectroscopy and molecular dynamics (MD) simulations indicate that the averaged structure (Fig. 3) is almost the same as in the solid state.
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