N-{4-[(6Ar)-3-Amino-1,9-Dioxo-1,4,5,6,6A,7-Hexahydroimidazo[1,5-F]Pteridin-8(9H)-Yl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H21N7O7
IUPAC Name (2s)-2-[[4-[(6ar)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid
Molecular Mass 471.423 g·mol−1
Heat of Formation -1010.6 ± 16.7 kJ·mol−1
Dipole Moment 8.41 ± 1.08 D
Volume 506.55 Å 3
Surface Area 444.03 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(6ar)-3-amino-1,9-diketo-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-8-yl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(6ar)-3-amino-1,9-dioxo-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(6ar)-3-amino-1,9-dioxo-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(6ar)-3-amino-1,9-dioxo-5,6,6a,7-tetrahydro-4h-imidazo[3,4-f]pteridin-8-yl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 4-(7-amino-9-hydroxy-1-oxo-3,3a,4,5-tetrahydro-2,5,6,8,9b-pentaaza-cyclopenta[a]naphthalen-2-yl)-phenylcarbonyl-glutamic acid
  • l34
  • ly345899
InChIKey JSNFRYBHBVDHSG-NEPJUHHUSA-N
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