Total Assignment of the 1H- and 13C-NMR Spectra for TZT-1027 and Related Compounds

The total assignment of the 1H- and 13C-NMR spectra for TZT-1027 was carried out using various NMR methods (1D, 2D NMR). It was found that TZT-1027 exists in two different conformations resulting from the cis–trans isomerization of the amide bond at N-11 and C-12 in DMSO-d6. The 1H- and 13C-NMR spectra of compound 1 and 2 comprised of the partial structure of TZT-1027 were also assigned to be TZT-1027. These assignments showed that compound 1 is in good agreement with TZT-1027 with regard to formation of the conformers.