N-(4-{[(2,4-Diamino-5-Methyl-6-Quinazolinyl)Methyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C22H24N6O5
IUPAC Name (2s)-2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 452.463 g·mol−1
Heat of Formation -692.0 ± 16.7 kJ·mol−1
Dipole Moment 7.35 ± 1.08 D
Volume 517.32 Å 3
Surface Area 461.04 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-5-methyl-6-quinazolinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey GNFFWMJNLXIQMI-INIZCTEOSA-N
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