2018: Organic Letters
https://doi.org/10.1021/acs.orglett.8b01756
Jason K. Cooper, Kelin Li, Jeffrey Aube, David A. Coppage, Joseph P. Konopelski*
A DP4 protocol has been successfully utilized to establish the true structure of the natural product cyclocinamide A, a flexible cyclic peptide with four isolated stereocenters. Benchmarking the necessary level of theory required to successfully predict the NMR spectra of three previously synthesized isomers of cyclocinamide A led to the prediction of the natural stereochemistry as 4S, 7R, 11R, 14S, which has been confirmed by total synthesis.
Cooper Lab 