N-{4-[{[(6S)-2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Pteridinyl]Methyl}(Formyl)Amino]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H23N7O7
IUPAC Name (2s)-2-[[4-[[(6s)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methyl-formyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 473.439 g·mol−1
Heat of Formation -1036.9 ± 16.7 kJ·mol−1
Dipole Moment 10.00 ± 1.08 D
Volume 527.96 Å 3
Surface Area 454.93 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(6s)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methyl-formyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(6s)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methyl-formyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(6s)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methyl-formylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(6s)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methyl-methanoyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(6s)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methyl-formylamino]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey AUFGTPPARQZWDO-AAEUAGOBSA-N
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