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. Author manuscript; available in PMC: 2023 Aug 30.
Published in final edited form as: J Am Chem Soc. 2022 Nov 17;144(47):21628–21639. doi: 10.1021/jacs.2c09004

Figure 3: NMR structure of amycolimiditide.

Figure 3:

A: Left, portion of the 1H, 13C HMBC spectrum showing key correlations establishing the four ester linkages. Right, structure of the ester linkages with correlations present in the spectrum marked by arrows. The chemical shift of the carbonyl carbon in the ester is noted. B: Portion of the HMBC spectrum with correlations establishing the aspartimide moiety. The key correlations in bold are represented by bold arrows in the structure; normal arrows are additional HMBC correlations. C: Top structural model of amycolimiditide showing four ester linkages (gold) and the aspartimide moiety (magenta). Other side chains are omitted for clarity. The cartoon below the structure shows the connectivity in the peptide. The backbone of the ester-bonded ladder region of amycolimiditide is extended like beta-strands giving amycolimiditide a length in excess of 32 Å.