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

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Properties Simple | Detailed

Formula C20H25N6O6+
IUPAC Name (2s)-2-[[4-[[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-1-ium-3-id-6-yl]amino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 445.449 g·mol−1
Heat of Formation -865.9 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 507.63 Å 3
Surface Area 451.69 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[[(6r)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]amino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]amino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5-deaza-5,6,7,8-tetrahydroisofolic acid
  • 5-dtifa
  • l-glutamic acid, n-(4-(((2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)amino)methyl)benzoyl)-, (r)-
CAS Number(s)
  • 130327-70-7
InChIKey OLNLRVHYZZQGBF-OCCSQVGLSA-N
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