N-(2,3-Dihydroxybenzoyl)-L-Alanyl-L-Threonine

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Properties Simple | Detailed

Formula C14H18N2O7
IUPAC Name (2s,3r)-2-[[(2s)-2-[(2,3-dihydroxybenzoyl)amino]propanoyl]amino]-3-hydroxy-butanoic acid
Molecular Mass 326.302 g·mol−1
Heat of Formation -1270.8 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 370.41 Å 3
Surface Area 331.78 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2,3-dihydroxybenzoyl)-l-alanyl-l-threonine
  • (2,3-dihydroxybenzoyl)alanylthreonine
  • (2s,3r)-2-[[(2s)-2-[(2,3-dihydroxybenzoyl)amino]propanoyl]amino]-3-hydroxy-butanoic acid
  • (2s,3r)-2-[[(2s)-2-[(2,3-dihydroxybenzoyl)amino]propanoyl]amino]-3-hydroxy-butyric acid
  • (2s,3r)-2-[[(2s)-2-[(2,3-dihydroxybenzoyl)amino]propanoyl]amino]-3-hydroxybutanoic acid
  • (2s,3r)-2-[[(2s)-2-[(2,3-dihydroxyphenyl)carbonylamino]propanoyl]amino]-3-hydroxy-butanoic acid
  • (2s,3r)-2-[[(2s)-2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-hydroxybutanoic acid
  • bu 2743e
  • bu-2743e
  • l-threonine, n-(n-(2,3-dihydroxybenzoyl)-l-alanyl)-
CAS Number(s)
  • 88167-28-6
InChIKey XVYSGUYPIMZAAK-PJKMHFRUSA-N
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