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

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Properties Simple | Detailed

Formula C21H24N8O5
IUPAC Name (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 468.466 g·mol−1
Heat of Formation -569.0 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 535.08 Å 3
Surface Area 463.78 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 10-ethylaminopterin
  • l-glutamic acid, n-(4-(((2,4-diamino-6-pteridinyl)methyl)ethylamino)benzoyl)-
InChIKey POZRJDDKFDDOQR-AWEZNQCLSA-N
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