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Racemization of aspartic acid residues in peptides and proteins is assumed to proceed via succinimide intermediates. An enolization of the succinimide intermediate is required for the racemization to occur. In this study, we modeled the enolization step by density‐functional theory (DFT) calculations (B3LYP/6‐31+G**), using two model compounds, N‐methylsuccinimide (1) and its formylamino derivarive...
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