N-(4-{[2-(2-Amino-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Ethyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H24N7O6+
IUPAC Name (2s)-2-[[4-[2-(2-amino-4-oxo-7,8-dihydropteridin-1-ium-3-id-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 458.448 g·mol−1
Heat of Formation -793.0 ± 16.7 kJ·mol−1
Dipole Moment 13.04 ± 1.08 D
Volume 520.19 Å 3
Surface Area 459.56 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-(2-amino-4-keto-7,8-dihydro-1h-pteridin-6-yl)ethylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)ethylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey VEBDSVCWCXWVOS-ZDUSSCGKSA-N
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