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

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Properties Simple | Detailed

Formula C21H25N5O6
IUPAC Name (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[2,3-d]pyrimidin-3-ium-6-yl]ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 443.453 g·mol−1
Heat of Formation -1018.1 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 513.31 Å 3
Surface Area 454.7 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]ethyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • ddathf-b
  • ddf
  • l-glutamic acid, n-(4-(2-((6r)-2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-
  • l-glutamic acid, n-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-, (r)-
  • ly-264618
  • t-64
CAS Number(s)
  • 106400-81-1
InChIKey ZUQBAQVRAURMCL-DOMZBBRYSA-N
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