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

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Properties Simple | Detailed

Formula C20H19N5O6
IUPAC Name (2s)-2-[[4-[(4-oxo-1h-1,2,3-benzotriazin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 425.395 g·mol−1
Heat of Formation -701.9 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 477.46 Å 3
Surface Area 430.34 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(4-keto-1h-1,2,3-benzotriazin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(4-oxo-1h-1,2,3-benzotriazin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[oxo-[4-[(4-oxo-1h-1,2,3-benzotriazin-6-yl)methylamino]phenyl]methyl]amino]pentanedioic acid
  • 2-aza-2-desamino-5,8-dideazafolic acid
  • addf
  • l-glutamic acid, n-(4-(((1,4-dihydro-4-oxo-1,2,3-benzotriazin-6-yl)methyl)amino)benzoyl)-
  • n-(4-(((1,4-dihydro-4-oxo-1,2,3-benzotriazin-6-yl)methyl)amino)benzoyl)-l-glutamic acid
  • n-(4-(((3,4-dihydro-4-oxo-1,2,3-benzotriazin-6-yl)methyl)amino)benzoyl)-l-glutamic acid
CAS Number(s)
  • 140410-01-1
InChIKey YKORUANEKZOBMT-INIZCTEOSA-N
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