N-(4-{2-[(5R)-2-Amino-4-Oxo-4,5,6,7-Tetrahydro-1H-Pyrrolo[2,3-D]Pyrimidin-5-Yl]Ethyl}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H24N5O6+
IUPAC Name (2s)-2-[[4-[2-[(5r)-2-amino-4-oxo-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-1-ium-3-id-5-yl]ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 430.434 g·mol−1
Heat of Formation -899.9 ± 16.7 kJ·mol−1
Dipole Moment 11.39 ± 1.08 D
Volume 495.98 Å 3
Surface Area 440.58 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-[(5r)-2-amino-4-keto-1,5,6,7-tetrahydropyrrolo[4,5-e]pyrimidin-5-yl]ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-[(5r)-2-amino-4-oxo-1,5,6,7-tetrahydropyrrolo[4,5-e]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-[(5r)-2-amino-4-oxo-1,5,6,7-tetrahydropyrrolo[4,5-e]pyrimidin-5-yl]ethyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-[(5r)-2-amino-4-oxo-1,5,6,7-tetrahydropyrrolo[4,5-e]pyrimidin-5-yl]ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5,6-dihydro-ly231514
  • l-glutamic acid, n-(4-(2-(2-amino-4,5,6,7-tetrahydro-4-oxo-1h-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, (r)-
  • ly 288,601
  • ly 288601
CAS Number(s)
  • 152920-47-3
InChIKey WIQHGSZNXPONNQ-STQMWFEESA-N
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