1H NMR spectroscopic and quantum chemical studies on a poly(ester amide) model compound: Nα-benzoyl-l-argininate ethyl ester chloride. structural preferences for the isolated molecule and in solution

Journal of Physical Chemistry B

Volumn 114, Issue 18, 2010, Pages 6156-6164

  Fonseca, A C ^a   Jarmelo, S ^a   Carvalho, R A ^b   Fausto, R ^a   Gil, M H ^a   Simoes P N ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; AMINO ACIDS; CHLORINE COMPOUNDS; COMPLEXATION; CONTINUUM MECHANICS; ESTERIFICATION; ESTERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; QUANTUM CHEMISTRY;

1H-NMR SPECTRA; BOND INTERACTIONS; CARBONYL OXYGEN ATOMS; CONFORMATIONAL SEARCH; ENERGY CONFORMATION; ETHYL ESTERS; FOLDED STRUCTURES; GUANIDINIUM; H NMR SPECTROSCOPY; ISOLATED MOLECULES; L-ARGININE; LOW ENERGIES; MODEL COMPOUND; NMR CHEMICAL SHIFTS; POLARIZED CONTINUUM MODELS; POLY(ESTER-AMIDE); QUANTUM CHEMICAL STUDIES; QUANTUM-CHEMICAL METHODS; ROTATIONAL MOTION; SEMIEMPIRICAL PM3; STABILIZING FACTORS; TAUTOMERIC FORMS; TEMPERATURE RANGE; WATER COMPLEXES;

CONFORMATIONS;

AMIDE; ARGININE; DRUG DERIVATIVE; ESTER; N(ALPHA) BENZOYL L ARGININATE ETHYL ESTER CHLORIDE; N(ALPHA)-BENZOYL-L-ARGININATE ETHYL ESTER CHLORIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SOLUTION AND SOLUBILITY; STEREOISOMERISM;

AMIDES; ARGININE; ESTERS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLUTIONS; STEREOISOMERISM;

EID: 77952233954     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp9114749     Document Type: Article

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