N-[4-(6-Amino-3-Oxo-1,2,4-Benzotriazin-2(3H)-Yl)Benzoyl]-L-Glutamic Acid

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Formula C19H17N5O6
IUPAC Name (2s)-2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)benzoyl]amino]pentanedioic acid
Molecular Mass 411.368 g·mol−1
Heat of Formation -679.0 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 447.48 Å 3
Surface Area 408.26 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-(6-amino-3-keto-1,2,4-benzotriazin-2-yl)benzoyl]amino]glutaric acid
  • (2s)-2-[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-(6-amino-3-oxo-1,2,4-benzotriazin-2-yl)phenyl]-oxomethyl]amino]pentanedioic acid
  • n-(4-(3-oxo-6-amino-2,3-dihydro-1,2,4-benzotriazin-2-yl)benzoyl)glutamic acid
  • oadbbg
CAS Number(s)
  • 122712-57-6
InChIKey DWTGBHWQSDBXRT-AWEZNQCLSA-N
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