Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 361442-00-4, Name is (2S)-2-((tert-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)acetic acid, molecular formula is C17H27NO5, belongs to amides-buliding-blocks compound. In a document, author is Frantom, Patrick, introduce the new discover, Name: (2S)-2-((tert-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)acetic acid.
Solvation of Amides in DMSO and CDCl3: An Attempt at Quantitative DFT-Based Interpretation of H-1 and C-13 NMR Chemical Shifts
The study concerns N-methyl-2-pyrrolidinone, N,N-dimethylformamide, 2-pyrrolidinone, N-methylformamide, and formamide in DMSO-d(6) and CDCl3 solutions. It has been shown that the results of DFT calculations [B3LYP and/or PBEO 6-311++G(2d,p), PCM] of molecular geometries and magnetic shielding are able to reproduce very well the amide H-1 NMR and C-13 NMR chemical shifts measured in these solvents provided that the specific solvation of the solute molecules and their association are taken into account and also that comparison of the experimental and theoretical data is carefully done. Analysis of the chemical shift data points out that in CDCl3 solutions primary and secondary amides are partially associated and that their carbonyl oxygen lone electron pairs are specifically solvated by solvent molecules. At the same time, association of the amides seems to be of minor importance in DMSO, while their N-H hydrogens form strong hydrogen bonds with solvent molecules.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 361442-00-4. Name: (2S)-2-((tert-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)acetic acid.