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- W2149574856 abstract "The serine proteinase inhibitor N-(2-oxo-2,3,4,5-tetrahydro-3-thienyl)-2-(2-thenoylthio)propion-amide (MR889) has been crystallised, and its three-dimensional structure studied by X-ray diffraction and by NMR techniques in solution and in the solid state. MR889 crystallises in the monoclinic space group P21/n with cell constants a= 10.539(2), b= 9.647(5), c= 14.654(1)A, β= 101.62(1)°; the asymmetric unit contains one molecule of MR889. The weighted crystallographic R factor for the refined structure is 0.044.The solution structure of MR889 has been elucidated through the measurement of proton–proton and proton–carbon nuclear Overhauser enhancements. Measurement of the 13C longitudinal relaxation times yields information about the dynamics of MR889 in dimethylsulfoxide solution. The comparison between solid and solution state 13C NMR spectra allows an understanding of the quite different structures in the two states." @default.
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- W2149574856 date "1993-01-01" @default.
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- W2149574856 title "Crystal structure and NMR investigation of the serine proteinase inhibitor MR889, a cyclic thiolic compound" @default.
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- W2149574856 doi "https://doi.org/10.1039/p29930002253" @default.
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