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Structure of 4-(N′-Pivaloyl)-D(L)-Phenylalanyl-D (L)-Perhydro-4H-1, 4-Thiazine-3-(N-Methyl) Carboxamide Methanol Monohydrate in the Crystalline State

✍ Scribed by S. Wu; B. Tinant; J. P. Declercq; M. van Meerssche; F. A. M. Borremans; M. J. O. Anteunis


Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
254 KB
Volume
97
Category
Article
ISSN
0037-9646

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✦ Synopsis


subjected to-an X-ray diffraction analysis. C20H29N303S.CH OH.H20, Mr=441.58, triclinic, Pol, a = 12.98;;2), b = 9.939(1), c = 11.345(1)w, a = 75.05(1)',

.31 cm-', F(000) = 476, T = 291K, R = 0.058 for 3875 observed reflections. The data reveal a molecular conformation with all t r a n s amide bonds, in an "open form


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Structure of 4- (N'-Pivaloyl)-D-Phenylal
✍ S. Wu; B. Tinant; J. P. Declercq; M. van Meerssche; F. A. M. Borremans; M. J. O. 📂 Article 📅 2010 🏛 Wiley (John Wiley & Sons) ⚖ 326 KB

= 15.17 cm-', F ( 0 0 0 ) = 1680, T = 291K, R = 0.055 and Rw = 0.061 for 3913 reflections with I ~2.5o(I) out of 4264 independent measurements. The peptide chain adopts a conformation of the type 11'6 turn