N-{4-[3-(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Propyl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H23N6O6+
IUPAC Name (2s)-2-[[4-[3-(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)propyl]benzoyl]amino]pentanedioic acid
Molecular Mass 455.444 g·mol−1
Heat of Formation -788.1 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 518.85 Å 3
Surface Area 460.32 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[3-(2-amino-4-keto-1h-pteridin-6-yl)propyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[3-(2-amino-4-oxo-1h-pteridin-6-yl)propyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[3-(2-amino-4-oxo-1h-pteridin-6-yl)propyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[3-(2-amino-4-oxo-1h-pteridin-6-yl)propyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 11-deazahomofolic acid
  • l-glutamic acid, n-(4-(3-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)propyl)benzoyl)-
  • n-(4-(3-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)propyl)benzoyl)-l-glutamic acid
CAS Number(s)
  • 119770-54-6
InChIKey MJHZEXKOLNBMAE-AWEZNQCLSA-N
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