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

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Properties Simple | Detailed

Formula C25H24N4O6
IUPAC Name (2s)-2-[[4-[(2-methyl-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 476.481 g·mol−1
Heat of Formation -622.4 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 546.51 Å 3
Surface Area 468.76 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(4-keto-2-methyl-1h-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[[4-[(2-methyl-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • (s)-2-[(1-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-phenyl}-methanoyl)-amino]-pentanedioic acid
  • 2-desamino-2-methyl-10-propagyl-5,8-dideazofolic acid
  • cb 3819
  • ici 198583
  • l-glutamic acid, n-(4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-
CAS Number(s)
  • 112887-62-4
InChIKey PMTUUSDTAKQWQJ-NRFANRHFSA-N
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