N-(4-{[(2,4-Diamino-5-Methylpyrido[2,3-D]Pyrimidin-6-Yl)Methyl](2-Propyn-1-Yl)Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C24H25N7O5
IUPAC Name (2s)-2-[[4-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 491.499 g·mol−1
Heat of Formation -372.4 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 561.18 Å 3
Surface Area 478.71 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diamino-5-methyl-pyrido[5,6-e]pyrimidin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diamino-5-methylpyrido[5,6-e]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-5-methyl-6-pyrido[5,6-e]pyrimidinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 10-pmdap
  • 10-propargyl-5-methyl-5-deazaaminopterin analog of folic acid
  • l-glutamic acid, n-(4-(((2,4-diamino-5-methylpyrido(2,3-d)pyrimidin-6-yl)methyl)-2-propynylamino)benzoyl)-
CAS Number(s)
  • 135423-85-7
InChIKey NXZWILPVWKKBOG-KRWDZBQOSA-N
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