The structure and dynamics of cefpodoxime proxetil are elucidated by measuring chemical shift anisotropy (CSA) tensor, spin-lattice relaxation time, and local correlation time at twenty-one crystallographically different ¹³C nuclei sites. The principal components of CSA tensor of cefpodoxime proxetil are extracted by the two-dimensional phase adjusted sinning sideband (2DPASS) cross-polarization magic angle spinning (CP-MAS) solid-state NMR experiment, and the spin-lattice relaxation time is measured by the method outlined by Torchia(T1CP). The local correlation time is calculated by bearing in mind that the spin-lattice relaxation mechanism of ¹³C nuclei is mainly governed by the CSA interaction and the heteronuclear dipole-dipole interaction. The aminothiazole ring, $\beta$-lactam ring, and dihydrothiazine ring provide stability to the drug molecule and increase the affinity of the drug to penicillin-binding proteins (PBPs) receptors. The principal components of CSA parameters, spin-lattice relaxation time, and local correlation time vary substantially for carbon nuclei residing on these three rings. These signify that not only the electronic environment, but the molecular conformation, and the local dynamics are also altered within the ring. The substitution of the acyl side chain, oxime group, and the aminothiazole ring at the C7 position of the $\beta$-lactam ring enhances the antibacterial activity and the binding affinity of the drug. A huge variation of the spin-lattice relaxation time and local correlation time is observed in those regions. The change in the electron charge distribution and nuclear spin dynamics at different parts of the drug molecule is clear by CSA and spin-lattice relaxation measurements, which will enrich the field “NMR crystallography”.

^{通过在 21 个晶体学上不同的13} C 核位点测量化学位移各向异性 (CSA) 张量、自旋晶格弛豫时间和局部相关时间，阐明了头孢泊肟酯的结构和动力学。通过二维相位调整的单边带（2DPASS）交叉极化魔角自旋（CP-MAS）固态核磁共振实验提取头孢泊肟酯的CSA张量主成分，自旋晶格弛豫时间通过下式测量Torchia（T1CP）概述的方法。通过牢记¹³ C 核的自旋晶格弛豫机制主要受 CSA 相互作用和异核偶极-偶极相互作用的控制来计算局部相关时间。氨基噻唑环，$\beta$-内酰胺环和二氢噻嗪环为药物分子提供稳定性并增加药物对青霉素结合蛋白 (PBP) 受体的亲和力。对于位于这三个环上的碳核，CSA 参数、自旋晶格弛豫时间和局部相关时间的主要成分变化很大。这些意味着不仅电子环境，而且分子构象和局部动力学也在环内发生了改变。酰基侧链、肟基和C7位氨基噻唑环的取代$\beta$-内酰胺环增强了药物的抗菌活性和结合亲和力。在这些区域中观察到自旋晶格弛豫时间和局部相关时间的巨大变化。通过 CSA 和自旋晶格弛豫测量可以清楚地了解药物分子不同部分的电子电荷分布和核自旋动力学的变化，这将丰富“核磁共振晶体学”领域。