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Determination of the Relative Configuration of β‐Amino Acid Esters Based on Residual Dipolar Couplings
Author(s) -
Niklas Thomas,
Steinmetzger Christian,
Liu Weiping,
Zell Daniel,
Stalke Dietmar,
Ackermann Lutz,
John Michael
Publication year - 2015
Publication title -
european journal of organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 1434-193X
DOI - 10.1002/ejoc.201500941
Subject(s) - chemistry , residual dipolar coupling , residual , dipole , computational chemistry , amino acid , stereochemistry , organic chemistry , biochemistry , algorithm , computer science
Configurational and conformational characterization of two synthetic β‐amino acid esters comprising an indan motif was achieved by residual dipolar couplings. We further observed that the stability of Q factors upon addition of structural noise substantially facilitates the selection of the “correct” structure. The two analyzed compounds differ by a single methyl group, which leads to a remarkable conformational change.
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