N-{4-[2-(2-Amino-4-Methyl-3H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H23N5O5
IUPAC Name (2s)-2-[[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 425.438 g·mol−1
Heat of Formation -728.9 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 497.08 Å 3
Surface Area 434.89 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-(2-amino-4-methyl-7h-pyrrolo[5,4-d]pyrimidin-5-yl)ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-(2-amino-4-methyl-7h-pyrrolo[5,4-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-(2-amino-4-methyl-7h-pyrrolo[5,4-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • gpb
  • n-[4-[2-(2-amino-4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoyl]glutamic acid
  • n-{2-amino-4-methyl[(pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-l-glutamic acid
InChIKey FICRNCFTTZHHPO-HNNXBMFYSA-N
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