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Tert-Butyl (2S)-2-{3-[(R)-bis-(tert-but-oxy-carbon-yl)amino]-2-oxopiperidin-1-yl}-3-methyl-butano-ate.


ABSTRACT: The title compound, C(24)H(42)N(2)O(7), is a chiral lactam-constrained amino acid with a six-membered ring backbone and isopropyl and tert-butyl ester side chains. The conformation of the six-membered ring can be described as a half chair, with two CH(2) C atoms lying 0.443?(1) and -0.310?(1)?Å out of the best plane of the other four atoms (mean deviation = 0.042?Å). Both N atoms are sp(2) hybridized, lying 0.0413?(9) and 0.067?(1)?Å out of the planes defined by the three C atoms bonded to them. The absolute configuration was determined, based on resonant scattering of light atoms in Cu K? radiation.

SUBMITTER: Kangas MJ 

PROVIDER: S-EPMC3247449 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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tert-Butyl (2S)-2-{3-[(R)-bis-(tert-but-oxy-carbon-yl)amino]-2-oxopiperidin-1-yl}-3-methyl-butano-ate.

Kangas Michael J MJ   Fronczek Frank R FR   Watkins Steven F SF  

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11


The title compound, C(24)H(42)N(2)O(7), is a chiral lactam-constrained amino acid with a six-membered ring backbone and isopropyl and tert-butyl ester side chains. The conformation of the six-membered ring can be described as a half chair, with two CH(2) C atoms lying 0.443 (1) and -0.310 (1) Å out of the best plane of the other four atoms (mean deviation = 0.042 Å). Both N atoms are sp(2) hybridized, lying 0.0413 (9) and 0.067 (1) Å out of the planes defined by the three C atoms bonded to them.  ...[more]

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