Theoretical study on keto-enol tautomerization of glutarimide for
exploration of isomerization reaction pathway of the glutamic acid
a)
in proteins using density functional theory
S. Fukuyoshi, T. Nakayoshi, O. Takahashi, A. Oda
Supporting Information
a)
2.981
b)
b)
2.619
Figure S1. The geometry of the pseudoequatorial form (F-GI1, a) and pseudoaxial form
(F-GI2, b) of the reactant. Selected interatomic distances are shown in Å.
71.6
F-TS2
23.2
F-EN
5.97
0
F-TS1
4.46
F-GI2
F-GI1
Figure S2. Energy diagram.
kcal/mol.
ZPE correction energies relative to F-GI1 are shown in