ChemInform Abstract: X-Ray and Conformational Investigation of Isomeric Methyl 2,6-Anhydro-3-deoxy-hept-2-enoates (I) and (II).

ChemInform ◽  
2010 ◽  
Vol 29 (7) ◽  
pp. no-no
Author(s):  
J. W. KRAJEWSKI ◽  
A. BANASZEK ◽  
J. MLYNARSKI
Keyword(s):  
X Ray ◽  
Conformational Investigation ◽  
Isomeric Methyl

scholarly journals Conformational investigation of alpha,beta-dehydropeptides. XIII. Conformational properties of N-acetyl-alpha,beta-dehydrovaline N',N'-dimethylamide.

2004 ◽  
Vol 51 (1) ◽  
pp. 145-152 ◽  
Author(s):  
Dawid Siodłak ◽  
Barbara Rzeszotarska ◽  
Małgorzata A Broda ◽  
Anna E Kozioł ◽  
Edyta Kołodziejczyk
Keyword(s):  
Type Ii ◽  
Beta Turn ◽  
X Ray ◽  
X Ray Crystallography ◽  
Tertiary Amide ◽  
Conformational Investigation ◽  
Conformational Properties ◽  
Alpha Beta ◽  
Solid State Conformation ◽  
Ab Initio Dft

The crystal structure of Ac-DeltaVal-NMe(2) (DeltaVal = alpha,beta-dehydrovaline) was determined by X-ray crystallography. The found angles phi = -60 degrees and psi = 125 degrees correspond exactly to the respective values of the (i + 1)th residue in idealised beta-turn II/VIa. Ab initio/DFT studies revealed that the molecule adopts the angle psi restricted only to about |130 degrees | and very readily attains the angle phi = about -50 degrees. This is in line with its solid-state conformation. Taken together, these data suggest that the DeltaVal residue combined with a C-terminal tertiary amide is a good candidate at the (i + 1)th position in a type II/VIa beta-turn.

Conformational investigation of antibiotic proximicin by X-ray structure analysis and quantum studies suggest a stretched conformation of this type of γ-peptide

2013 ◽  
Vol 21 (12) ◽  
pp. 3582-3589 ◽  
Author(s):  
Alexander Denisiuk ◽  
Vivien Schubert ◽  
Falko E. Wolter ◽  
Elisabeth Irran ◽  
Patrick Trouillas ◽  
...  
Keyword(s):  
Structure Analysis ◽  
X Ray ◽  
Conformational Investigation

Structural and conformational investigation of nemorosone: A combined X-ray and quantum mechanical study

2008 ◽  
Vol 462 (4-6) ◽  
pp. 158-163 ◽  
Author(s):  
Bruno Pagano ◽  
Michele Pavone ◽  
Anna Lisa Piccinelli ◽  
Luca Rastrelli ◽  
Osmany Cuesta-Rubio ◽  
...  
Keyword(s):  
Quantum Mechanical ◽  
X Ray ◽  
Mechanical Study ◽  
Conformational Investigation ◽  
Quantum Mechanical Study

scholarly journals Synthesis of 7α- and 17-Bromonorambreinolides from Norambreinolide

2007 ◽  
Vol 2 (1) ◽  
pp. 114-118
Author(s):  
Pavel F. Vlad ◽  
Alexandru G. Ciocarlan ◽  
Grigore N. Mironov ◽  
Mihai N. Coltsa ◽  
Yurii A. Simonov ◽  
...  
Keyword(s):  
Spectral Data ◽  
X Ray ◽  
Isomeric Methyl

A mixture of 7α- and 17-bromonorambreinolides was obtained on treatment of the mixture of isomeric methyl bicyclohomofarnesenoates, the norambreinolide transesterification product, with NBS and H2O2. The structure of 7α- and 17-bromonorambreinolides was elucidated on the basis of spectral data. The structure of 17-bromonorambreinolide was confirmed by its reduction with LiAlH4 into sclaradiol, and that of 7α-bromonorambreinolide by X-ray analysis.

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