N-(4-{[(2,4-Diamino-7-Oxo-7,8-Dihydro-6-Pteridinyl)Methyl](Methyl)Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H22N8O6+
IUPAC Name (2s)-2-[[4-[(2,4-diamino-7-oxo-pteridin-8-ium-6-ylium-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 470.439 g·mol−1
Heat of Formation -828.4 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 527.09 Å 3
Surface Area 452.54 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diamino-7-keto-8h-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diamino-7-oxo-8h-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diamino-7-oxo-8h-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diamino-7-oxo-8h-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-7-oxo-8h-pteridin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • glutamic acid, n-(p-(((2,4-diamino-7-hydroxy-6-pteridinyl)methyl)methylamino)benzoyl)-
  • l-glutamic acid, n-(4-(((2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl)methylamino)benzoyl)-
  • n-(4-(((2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl)methylamino)benzoyl)-l-glutamic acid
InChIKey HODZDDDNGRLGSI-NSHDSACASA-N
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