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

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Properties Simple | Detailed

Formula C19H19N7O5
IUPAC Name (2s)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 425.398 g·mol−1
Heat of Formation -525.8 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 472.63 Å 3
Surface Area 432.79 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(4-aminopteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(4-amino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-desaminopterin
CAS Number(s)
  • 118869-51-5
InChIKey ACWNWYYLDYBWEG-ZDUSSCGKSA-N
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