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Crystal and molecular structure of the centrosymmetric meso-valinomycin analogue—cyclo (D-Val-D-Hyi-D-Val-L-Hyi-L-Val-D-Hyi-L-Val-L-Hyi-L-Val-D-Hyi-L-Val-L-Hyi) (C60H102N6O18)

✍ Scribed by V. Z. Pletnev; Yu. D. Fonarev; I. N. Tsygannik; V. T. Ivanov; S. V. Pletnev; D. A. Langs; W. L. Duax


Publisher
Wiley (John Wiley & Sons)
Year
1995
Tongue
English
Weight
437 KB
Volume
36
Category
Article
ISSN
0006-3525

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✦ Synopsis


Hyi-0-Val-t-Hyi)

. 2H20 has been solved by x-ray direct methods. The crystals (grown from a mixture of octane/CH2C12) are an orthorhombic, centrosymmetric space group Pbca, cell parameters a = 11.458( 2), b = 25.613(3), c = 23.691 (3) k, Z = 4; therefore the molecule lies on a center of inversion in the cell. The atomic coordinate~y fix the C, N, and 0 atoms were reJined in the anisotropic thermal motion approximation (allowing for H-atom contribution to F,,) to a standard R-factor value of 0.081. In contrast to meso-valinomycin, the analogue under study does not adopt an octahedral cage bracelet conformation. It has an unusual centrosymmetric elongated form with two type I1 terminal P-bends.formed by N -H . . . C=O 4 + 1 type intramolecular H bonds. Two symmetry-related water molecules reside in the elongated molecular cavity of the centrosymmetric depsipeptide ring.


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