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Conformational studies of N-acetyl-N′-methylamide derivatives of α-aminobutyric acid, norvaline, and valine. I. Preferred conformations in solution as studied by 1H-nmr spectroscopy

✍ Scribed by Toshimasa Yamazaki; Akihiro Abe

Publisher: Wiley (John Wiley & Sons)
Year: 1988
Tongue: English
Weight: 731 KB
Volume: 27
Category: Article
ISSN: 0006-3525
DOI: 10.1002/bip.360270607

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✦ Synopsis

The 'H-nmr studies were extensively carried out to elucidate preferred conformations of dipeptides CH,C*O-X-NHCH,, with X = Abu, oval, and Val in various solvents. The vicinal 'H--'H coupling constants for the NH-CnH moiety and those around the C"-Cp bond in the articulated side chain provided the information regarding the average conformation of these molecules. The results indicate that transformation of skeletal conformations takes place in solution among conformers having similar dihedral angles, 8,,-,.,, in the Karplus expression.

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Conformational studies of N-acetyl-N′-me

Conformational studies of N-acetyl-N′-methylamide derivatives of α-aminobutyric acid, norvaline, and valine. II. Conformational energy calculations and comparison with experimental results

✍ Akihiro Abe; Toshimasa Yamazaki 📂 Article 📅 1988 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 840 KB

Conformational analyses on a series of dipeptides CH,-C\*O-NH-CH(R) -C\*O-HN-CH, with side chains such as R = CH2CH3,.CH,CH,CH,, and CH(CH,), are described. Calculations were carried out by using semiempirical potential energy functions of Brant et al. The results were compared with those reported b