N-(4-{[(2,4-Diaminopyrido[2,3-D]Pyrimidin-6-Yl)Methyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H21N7O5
IUPAC Name (2s)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 439.425 g·mol−1
Heat of Formation -603.4 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 491.23 Å 3
Surface Area 447.21 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopyrido[5,6-e]pyrimidin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diaminopyrido[5,6-e]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopyrido[5,6-e]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pyrido[5,6-e]pyrimidinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5-deazaaminopterin
  • l-glutamic acid, n-(4-(((2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)methyl)amino)benzoyl)-
InChIKey QLPRLGAHKHCVEW-AWEZNQCLSA-N
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