L-β-Aspartyl-L-Alanine

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Properties Simple | Detailed

Formula C7H12N2O5
IUPAC Name (2s)-2-amino-4-[[(1s)-1-carboxyethyl]amino]-4-oxo-butanoic acid
Molecular Mass 204.181 g·mol−1
Heat of Formation -977.6 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 240.22 Å 3
Surface Area 226.39 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 3.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-[[(1s)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
  • (2s)-2-amino-4-[[(1s)-2-hydroxy-1-methyl-2-oxoethyl]amino]-4-oxobutanoic acid
  • (2s)-2-amino-4-[[(1s)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid
  • (2s)-2-amino-4-[[(2s)-1-hydroxy-1-oxo-propan-2-yl]amino]-4-oxo-butanoic acid
  • (2s)-2-amino-4-[[(2s)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
  • beta-aspartylalanine
CAS Number(s)
  • 13110-25-3
InChIKey ARSVRKCVNFIICJ-IMJSIDKUSA-N
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