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

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Properties Simple | Detailed

Formula C26H24F3N4O6+
IUPAC Name (2s)-2-[[4-[(2-methyl-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzoyl]amino]pentanedioic acid
Molecular Mass 545.487 g·mol−1
Heat of Formation -1284.2 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 559.95 Å 3
Surface Area 463.22 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-(trifluoromethyl)benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(4-keto-2-methyl-1h-quinazolin-6-yl)methyl-propargyl-amino]-2-(trifluoromethyl)benzoyl]amino]glutaric acid
  • (2s)-2-[[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-(trifluoromethyl)phenyl]-oxomethyl]amino]pentanedioic acid
  • c(2)-desamino-c(2)methyl-n(10)-propargyl-2'-trifluoromethyl-5,8-dideazfolic acid
  • cb 3988
  • cb-3988
  • l-glutamic acid, n-(4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-(trifluoromethyl)benzoyl)-
CAS Number(s)
  • 112888-26-3
InChIKey QVJDQRGWHLSUHB-NRFANRHFSA-N
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