As a society publisher, everything we do is to support the scientific community – so you can trust us to always act in your best interests, and get your work the international recognition that it deserves. , Computed Properties of https://www.ambeed.com/products/82911-69-1.html, 82911-69-1, Name is N-(9-Fluorenylmethoxycarbonyloxy)succinimide, molecular formula is C19H15NO5, belongs to thiazines compound. In a document, author is Levina, E. O., introduce the new discover.
Effect of Substituents in Hydrolyzed Cephalosporins on Intramolecular O-H center dot center dot center dot N Bond
Model molecular systems structurally similar to the transition state of the limiting step of the hydrolysis of cephalosporin antibiotics by the L1 metallo-beta-lactamase are studied. The series of fluorinated compounds show that the nature of substituents in thiazine and beta-lactam rings have a great impact on the strength of the intramolecular O-H center dot center dot center dot N hydrogen bond that determines the catalytic parameters in real biological systems. The strengthening or weakening of the O-H center dot center dot center dot N bond is registered via a quantum topological analysis of the electron density, supplemented with various bonding descriptors’ study. The obtained data are confirmed by the analysis of the vibrational frequency shift relatively to the nonfluorinated compound for the O-H stretching mode of the carboxylic group involved in the O-H center dot center dot center dot N bond formation. The absence of the monotonic dependence of the hydrogen bond strength on the donor-acceptor effects of substituents shows that considered bonding descriptors do not provide a complete understanding of the bonding mechanisms in the active center of L1 metallo-beta-lactamase.
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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem