N-(4-{[(4-Amino-2-Methyl-6-Pteridinyl)Methyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H21N7O5
IUPAC Name (2s)-2-[[4-[(4-λ1-azanyl-2-methyl-pteridine-1,3,5,8-tetraium-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 439.425 g·mol−1
Heat of Formation -567.1 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 496.45 Å 3
Surface Area 451.55 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(4-amino-2-methyl-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(4-amino-2-methyl-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(4-amino-2-methyl-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(4-amino-2-methylpteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(4-amino-2-methyl-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-desamino-2-methylaminopterin
  • l-glutamic acid, n-(4-(((4-amino-2-methyl-6-pteridinyl)methyl)amino)benzoyl)-
CAS Number(s)
  • 118869-52-6
InChIKey XOSWZVVCHBBRAM-AWEZNQCLSA-N
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