N-{4-[3-(2,4-Diamino-7H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Propyl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H24N6O5
IUPAC Name (2s)-2-[[4-[3-(2,4-diamino-6h-pyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-5-yl)propyl]benzoyl]amino]pentanedioic acid
Molecular Mass 440.452 g·mol−1
Heat of Formation -776.3 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 514.27 Å 3
Surface Area 408.95 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[3-(2,4-diamino-7h-pyrrolo[4,5-e]pyrimidin-5-yl)propyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[3-(2,4-diamino-7h-pyrrolo[4,5-e]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[3-(2,4-diamino-7h-pyrrolo[4,5-e]pyrimidin-5-yl)propyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[3-(2,4-diamino-7h-pyrrolo[4,5-e]pyrimidin-5-yl)propyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • l-glutamic acid, n-(4-(3-(2,4-diamino-1h-pyrrolo(2,3-d)pyrimidin-5-yl)propyl)benzoyl)-
  • n-(4-(3-(2,4-diamino-1h-pyrrolo(2,3-d)pyrimidin-5-yl)propyl)benzoyl)-l-glutamic acid
  • n-(4-(3-(2,4-diamino-7h-pyrrolo(2,3-d)pyrimidin-5-yl)propyl)benzoyl)glutamic acid
  • tnp 351
  • tnp-351
CAS Number(s)
  • 125991-51-7
InChIKey WLGCEMWNUHSIIS-AWEZNQCLSA-N
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