Crystal structure and physical characterization of N-(3,3-dimethylbutyl)-L- α-aspartyl-L-phenylalanine, the hydrolysis product of neotame

Zedong Dong, William W. Brennessel, Brian E. Padden, Steve A. Schroeder, Indra Prakash, Ihab Bishay, Victor G. Young, Eric J. Munson, David J.W. Grant

Research output: Contribution to journalArticlepeer-review

Abstract

The hydrolysis product of neotame, N-(3,3-dimethylbutyl)-l-α- aspartyl-l-phenylalanine (DMBAP), was crystallized from water as an anhydrate with a melting point at 197°C with decomposition. Its crystal structure was determined by single crystal X-ray diffractometry. The crystal is orthorhombic with space group P212121 with Z=4 and one molecule per asymmetric unit. The cell constants are a=5.520 (2) Å, b=10.608$ (5) Å and c= 31.92 (2) Å. The 13C solid-state nuclear magnetic resonance spectrum of DMBAP is compared with those of neotame monohydrate and neotame methanol solvate.

Original languageEnglish (US)
Pages (from-to)233-241
Number of pages9
JournalJournal of Chemical Crystallography
Volume35
Issue number3
DOIs
StatePublished - Mar 1 2005

Keywords

  • C solid-state nuclear magnetic resonance spectroscopy
  • Crystal structure
  • N-(3,3-dimethylbutyl)-L-α-aspartyl-L-phenylalanine
  • Neotame hydrolysis product
  • Thermal analysis
  • X-ray analysis

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