Alitame

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Properties Simple | Detailed

Formula C14H25N3O4S
IUPAC Name (3s)-3-amino-4-[[(1r)-1-methyl-2-oxo-2-[(2,2,4,4-tetramethylthietan-3-yl)amino]ethyl]amino]-4-oxo-butanoic acid
Molecular Mass 331.431 g·mol−1
Heat of Formation -864.9 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 419.57 Å 3
Surface Area 336.85 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-amino-4-[[(1r)-1-methyl-2-oxo-2-[(2,2,4,4-tetramethyl-3-thietanyl)amino]ethyl]amino]-4-oxobutanoic acid
  • (3s)-3-amino-4-[[(1r)-1-methyl-2-oxo-2-[(2,2,4,4-tetramethylthietan-3-yl)amino]ethyl]amino]-4-oxo-butanoic acid
  • (3s)-3-amino-4-keto-4-[[(1r)-2-keto-1-methyl-2-[(2,2,4,4-tetramethylthietan-3-yl)amino]ethyl]amino]butyric acid
  • alitame anhydrous
  • d-alaninamide, l-alpha-aspartyl-n-(2,2,4,4-tetramethyl-3-thietanyl)-
  • l-alpha-aspartyl-n-(2,2,4,4-tetramethyl-3-thietanyl)-d-alaninamide
CAS Number(s)
  • 80863-62-3
InChIKey IVBOUFAWPCPFTQ-SFYZADRCSA-N
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