N~2~-[(2,4-Dihydroxyphenyl)Acetyl]-L-Asparagine

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Properties Simple | Detailed

Formula C12H14N2O6
IUPAC Name (2s)-4-amino-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-4-oxo-butanoic acid
Molecular Mass 282.249 g·mol−1
Heat of Formation -1047.3 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 321.49 Å 3
Surface Area 293.54 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-amino-2-[2-(2,4-dihydroxyphenyl)ethanoylamino]-4-oxo-butanoic acid
  • (2s)-4-amino-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]-4-oxobutanoic acid
  • (2s)-4-amino-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-4-keto-butyric acid
  • (2s)-4-amino-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-4-oxo-butanoic acid
  • (2s)-4-amino-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-4-oxobutanoic acid
  • 2,4-dhpa-asn
  • 2,4-dihydroxyphenyl-n-acetylasparagine
  • 2,4-dihydroxyphenylacetylasparagine
  • biomol-nt_000226
  • bpbio1_001344
  • l-asparagine, n2-((2,4-dihydroxyphenyl)acetyl)-
  • tocris-0262
CAS Number(s)
  • 111872-98-1
InChIKey XWUFTPIDMLSXES-QMMMGPOBSA-N
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