N-{4-[(2R)-1-(2,4-Diamino-6-Pteridinyl)-4-Pentyn-2-Yl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C23H23N7O5
IUPAC Name (2s)-2-[[4-[(1r)-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amino]pentanedioic acid
Molecular Mass 477.473 g·mol−1
Heat of Formation -382.6 ± 16.7 kJ·mol−1
Dipole Moment 0.50 ± 1.08 D
Volume 574.05 Å 3
Surface Area 457.98 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(1r)-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(1r)-1-[(2,4-diaminopteridin-6-yl)methyl]but-3-ynyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2r)-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2r)-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(1r)-1-[(2,4-diamino-6-pteridinyl)methyl]but-3-ynyl]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey OGSBUKJUDHAQEA-ZBFHGGJFSA-N
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