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

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Properties Simple | Detailed

Formula C20H24N6O6
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]methylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 444.441 g·mol−1
Heat of Formation -900.5 ± 16.7 kJ·mol−1
Dipole Moment 9.09 ± 1.08 D
Volume 505.55 Å 3
Surface Area 452.95 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.38 ± 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]methylamino]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]methylamino]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]methylamino]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]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 5-deaza-5,6,7,8-tetrahydrofolic acid
  • 5-deaza-thf
  • l-glutamic acid, n-(4-(((2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)methyl)amino)benzoyl)-, (r)-
CAS Number(s)
  • 115587-73-0
InChIKey XQZVRAWIARJOCJ-YGRLFVJLSA-N
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