N-[4-({[(2-Amino-4-Oxo-1,4-Dihydro-6-Pteridinyl)Methyl][(4-Methylphenyl)Sulfonyl]Amino}Methyl)Benzoyl]-L-Glutamic Acid

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Properties Simple | Detailed

Formula C27H28N7O8S+
IUPAC Name (2s)-2-[[4-[[(2-amino-4-oxo-3h-pteridin-1-ium-6-yl)methyl-(p-tolylsulfonyl)amino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 610.618 g·mol−1
Heat of Formation -1038.9 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 677.86 Å 3
Surface Area 498.22 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2-amino-4-keto-1h-pteridin-6-yl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(2-amino-4-oxo-1h-pteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • n(10)-tosylisohomofolic acid
  • n-(4-((((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)((4-methylphenyl)sulfonyl)amino)methyl)ben zoyl)-l-glutamic acid
CAS Number(s)
  • 66801-29-4
InChIKey MFBHBNCBSHCMEA-FQEVSTJZSA-N
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