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

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Properties Simple | Detailed

Formula C19H23N7O6
IUPAC Name (2s)-2-[[4-[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 445.429 g·mol−1
Heat of Formation -837.1 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 500.64 Å 3
Surface Area 444.89 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(6r)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey MSTNYGQPCMXVAQ-NEPJUHHUSA-N
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