Combining NMR and Computational Methods to Interrogate Rapamycin’s Mysterious Minor Conformer

Emily Crull – @ECrullPhD

#GlobalnmrTC2023 pic.twitter.com/8U5gKQeJRs

— Emily Crull (@ECrullPhD) July 19, 2023

Rapamycin is a natural product approved to facilitate organ transplantation and treat cancer. Existing in two interconverting species, the major conformer was shown to be the trans amide, while the minor was assumed to be the cis amide isomer. Using NMR and computational chemistry, we have revised this latter assignment.