N-(4-{[(2,4-Diaminofuro[2,3-D]Pyrimidin-5-Yl)Methyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C19H20N6O6
IUPAC Name (2s)-2-[[4-[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 428.399 g·mol−1
Heat of Formation -796.4 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 480.87 Å 3
Surface Area 427.74 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminofuro[5,4-d]pyrimidin-5-yl)methylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diaminofuro[5,4-d]pyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminofuro[5,4-d]pyrimidin-5-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-5-furo[5,4-d]pyrimidinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-[(1-{4-[(2,4-diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-phenyl}-methanoyl)-amino]-l-glutamic acid
  • dpmabg
  • n-(4-(n-((2,4-diaminofuro(2,3-d)pyrimidin-5-yl)methyl)amino)benzoyl)glutamic acid
CAS Number(s)
  • 156595-84-5
InChIKey ACXZKUHGYNILFP-LBPRGKRZSA-N
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