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79851478947
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Hydrogen bonds are defined as nonbonded contacts between a nitrogen or oxygen and an hydrogen attached to nitrogen or oxygen, separated by a distance ranging from 1.6 to 2.1 Å and making an X-H-Y X, Y = N, Oangle >120°
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Hydrogen bonds are defined as nonbonded contacts between a nitrogen or oxygen and an hydrogen attached to nitrogen or oxygen, separated by a distance ranging from 1.6 to 2.1 Å and making an X-H-Y X, Y = N, Oangle >120°.
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36
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79851498757
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Conformational analysis and DFT geometry optimization were performed with the suite Spartan'08 (Wavefunction, Inc.: Irvine, CA). Molecular dynamics were performed with MacroModel, version 9.7 Schrödinger, LLC, New York
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Conformational analysis and DFT geometry optimization were performed with the suite Spartan'08 (Wavefunction, Inc.: Irvine, CA). Molecular dynamics were performed with MacroModel, version 9.7 Schrödinger, LLC, New York, 2009).
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0037428001
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79851499362
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For DMSO-d6/CDCl3 solutions, chemical shifts were standardized by reference to residual proton resonance for CHD2CD3SO (2.49 ppm)
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For DMSO-d6/CDCl3 solutions, chemical shifts were standardized by reference to residual proton resonance for CHD2CD3SO (2.49 ppm).
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44
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79851469682
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i+2= -80ψ ψ(i+2= 0°
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i+2= -80° ψ(i+2= 0°.
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45
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79851485730
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Compound 4 was prepared according to ref 14. 1H and 13C NMR spectra are in accordance with literature. [R]25 D + 10.4 (c 1.0, CHCl3)
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Compound 4 was prepared according to ref 14. 1H and 13C NMR spectra are in accordance with literature. [R]25 D + 10.4 (c 1.0, CHCl3).
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