L-Glutamic Acid, N-(4-(((2-Amino-1,4-Dihydro-4-Oxo-6-Pteridinyl)Methyl)Thio)Benzoyl)-

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Formula C19H18N6O6S
IUPAC Name (2s)-2-[[4-[(2-amino-4-oxo-pteridin-1-ium-3-id-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
Molecular Mass 458.448 g·mol−1
Heat of Formation -804.9 ± 16.7 kJ·mol−1
Dipole Moment 8.22 ± 1.08 D
Volume 498.64 Å 3
Surface Area 377.56 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2-amino-4-keto-1h-pteridin-6-yl)methylthio]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylsulfanyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(2-amino-4-oxo-1h-pteridin-6-yl)methylthio]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey VUCAAEQMBTVEOL-LBPRGKRZSA-N
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