N-(4-{[(2-Amino-4-Hydroxyquinazolin-6-Yl)Methyl](Methyl)Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C22H23N5O6
IUPAC Name (2s)-2-[[4-[(2-amino-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 453.448 g·mol−1
Heat of Formation -845.0 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 518.77 Å 3
Surface Area 450.75 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • (5)n,(8)n-deaza-(10)-n-methylfolate
  • 10-mddf
  • 10-methyl-5,8-dideazafolate
  • l-glutamic acid, n-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)methylamino)benzoyl)-
CAS Number(s)
  • 27244-70-8
InChIKey ZRFBRXIIMGWDFH-KRWDZBQOSA-N
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