N-{4-[2-(2,4-Diaminopyrido[2,3-D]Pyrimidin-6-Yl)Ethyl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H22N6O5
IUPAC Name (2s)-2-[[4-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 438.437 g·mol−1
Heat of Formation -687.8 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 510.49 Å 3
Surface Area 397.73 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-(2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-(2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-(2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)ethyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-(2,4-diamino-6-pyrido[6,5-d]pyrimidinyl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5,10-dideazaaminopterin
  • l-glutamic aid, n-(4-(2-(2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-
  • n-(4-(2-(2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-l-glutamic aid
CAS Number(s)
  • 95674-53-6
InChIKey RGUQKUKRLMXLCM-HNNXBMFYSA-N
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