N-{4-[(3E)-3-(2-Amino-4-Oxo-1,5-Dihydro-6(4H)-Pteridinylidene)-4-Methyl-2-Oxo-2,3-Dihydro-1H-Pyrrol-1-Yl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C23H21N7O7
IUPAC Name (2s)-2-[[4-[(3e)-3-(2-amino-4-oxo-1,5-dihydropteridin-6-ylidene)-4-methyl-2-oxo-pyrrol-1-yl]benzoyl]amino]pentanedioic acid
Molecular Mass 507.456 g·mol−1
Heat of Formation -825.1 ± 16.7 kJ·mol−1
Dipole Moment 7.41 ± 1.08 D
Volume 548.73 Å 3
Surface Area 486.1 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(3e)-3-(2-amino-4-keto-1,5-dihydropteridin-6-ylidene)-2-keto-4-methyl-2-pyrrolin-1-yl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(3e)-3-(2-amino-4-oxo-1,5-dihydropteridin-6-ylidene)-4-methyl-2-oxo-pyrrol-1-yl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(3e)-3-(2-amino-4-oxo-1,5-dihydropteridin-6-ylidene)-4-methyl-2-oxo-pyrrol-1-yl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(3e)-3-(2-amino-4-oxo-1,5-dihydropteridin-6-ylidene)-4-methyl-2-oxopyrrol-1-yl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(3e)-3-(2-amino-4-oxo-1,5-dihydropteridin-6-ylidene)-4-methyl-2-oxo-1-pyrrolyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • pyrrofolic acid
CAS Number(s)
  • 88912-57-6
InChIKey BSSSHMYZINARDJ-YZGLPLCXSA-N
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