N-{4-[1-(2,4-Diamino-6-Pteridinyl)-2-Methyl-2-Propanyl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C22H25N7O5
IUPAC Name (2s)-2-[[4-[2-(2,4-diaminopteridin-6-yl)-1,1-dimethyl-ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 467.478 g·mol−1
Heat of Formation -651.1 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 553.05 Å 3
Surface Area 444.15 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[1-(2,4-diaminopteridin-6-yl)-2-methyl-propan-2-yl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[1-(2,4-diaminopteridin-6-yl)-2-methylpropan-2-yl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-(2,4-diaminopteridin-6-yl)-1,1-dimethyl-ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-(2,4-diaminopteridin-6-yl)-1,1-dimethyl-ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[2-(2,4-diamino-6-pteridinyl)-1,1-dimethylethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 10,10-dimethyl-10-deaza-aminopterin
  • 10,10-dimethyl-10-deazaaminopterin
  • l-glutamic acid, n-(4-(2-(2,4-diamino-6-pteridinyl)-1,1-dimethylethyl)benzoyl)-
CAS Number(s)
  • 80576-88-1
InChIKey UNDZSJQMMOCFIZ-AWEZNQCLSA-N
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