L-Glutamic Acid, N-[4-[[[4-Hydroxy-2-(Trifluoromethyl)-6-Quinazolinyl]Methyl]-2-Propyn-1-Ylamino]Benzoyl]-

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Properties Simple | Detailed

Formula C25H21F3N4O6
IUPAC Name (2s)-2-[[4-[[4-oxo-2-(trifluoromethyl)-1h-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 530.453 g·mol−1
Heat of Formation -1198.9 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 504.47 Å 3
Surface Area 464.87 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[4-keto-2-(trifluoromethyl)-1h-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[4-oxo-2-(trifluoromethyl)-1h-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[4-oxo-2-(trifluoromethyl)-1h-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[[4-oxo-2-(trifluoromethyl)-1h-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[oxo-[4-[[4-oxo-2-(trifluoromethyl)-1h-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]methyl]amino]pentanedioic acid
  • 2-deamino-2-tfm-pddf
  • 2-desamino-2-trifluoromethyl-n(10)-propargyl-5,8-dideazafolic acid
  • l-glutamic acid, n-(4-(((1,4-dihydro-4-oxo-2-(trifluoromethyl)-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-
CAS Number(s)
  • 112887-78-2
InChIKey JAIAMKVLKOZGKS-IBGZPJMESA-N
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