N-[4-({2-[(6R)-2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydropyrido[3,2-D]Pyrimidin-6-Yl]Ethyl}Amino)Benzoyl]-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H27N6O6+
IUPAC Name (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-1-ium-3-id-6-yl]ethylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 459.476 g·mol−1
Heat of Formation -918.9 ± 16.7 kJ·mol−1
Dipole Moment 12.65 ± 1.08 D
Volume 525.73 Å 3
Surface Area 469.6 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-pyrido[6,5-e]pyrimidin-6-yl]ethylamino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[6,5-e]pyrimidin-6-yl]ethylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[6,5-e]pyrimidin-6-yl]ethylamino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[6,5-e]pyrimidin-6-yl]ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • (r)-n-(4-((2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(3,2-d)pyrimidin-6-yl)ethyl)amino)benzoyl)-l-glutamic acid
  • 5,6,7,8-tdfa
  • 5,6,7,8-tetrahydro-8-deazahomofolic acid
  • l-glutamic acid, n-(4-((2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(3,2-d)pyrimidin-6-yl)ethyl)amino)benzoyl)-, (r)-
CAS Number(s)
  • 111113-75-8
InChIKey KWOGIKPULGQYDN-HIFRSBDPSA-N
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