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

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Properties Simple | Detailed

Formula C26H27N4O6
IUPAC Name (2s)-2-[[4-[[2,3-di(methyl)-4-oxo-quinazolin-1-ium-4a-id-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioate
Molecular Mass 491.516 g·mol−1
Heat of Formation -671.3 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 543.7 Å 3
Surface Area 451.94 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,3-dimethyl-4-oxo-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,3-dimethyl-4-oxo-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(4-keto-2,3-dimethyl-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[[4-[(2,3-dimethyl-4-oxo-6-quinazolinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-deamino-2,3-dm-pddf
  • 2-desamino-2,3-dimethyl-n(10)-propargyl-5,8-dideazafolic acid
  • l-glutamic acid, n-(4-(((3,4-dihydro-2,3-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-
CAS Number(s)
  • 119820-56-3
InChIKey ZZLZQCHJVCQSAK-QFIPXVFZSA-N
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