cis,cis‐Ceratospongamide N,N‐dimethylacetamide hemisolvate in the presence of twinning |
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Authors: | Akiko Asano Mitsunobu Doi Kenji Yoza |
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Abstract: | Ceratospongamide (CS) is a potent inhibitor of secreted phospholipase A2, and cis,cis and trans,trans isomers, related with respect to the two proline amide bonds, are known. Crystals of cis,cis‐CS were grown from N,N‐dimethylacetamide solution, giving the title compound, the cyclic ester of isoleucyloxazolinylphenylalanylprolylthiazolylphenylalanylproline [cyclo(‐Ile–Oxz–Phe–Pro–Thz–Phe–Pro‐)] N,N‐dimethylacetamide hemisolvate, C41H49N7O6S·0.5C4H9NO. The structure is the third example of cis,cis‐CS to be investigated and comprises twinned crystals, in which the a and b axes are interchanged. The ratio of co‐existing twin crystals is approximately 50%. The peptide has a `saddle‐like' structure and is very similar to previously reported structures of cis,cis‐CS, which implies that the structure of cis,cis‐CS is very stable in spite of differences in crystallization conditions. |
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