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

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Properties Simple | Detailed

Formula C19H23N5O6S
IUPAC Name (2s)-2-[[5-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[2,3-d]pyrimidin-3-ium-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
Molecular Mass 449.481 g·mol−1
Heat of Formation -928.5 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 506.64 Å 3
Surface Area 449.18 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[5-[2-[(6r)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]ethyl]thiophene-2-carbonyl]amino]glutaric acid
  • (2s)-2-[[5-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]ethyl]thiophen-2-yl]carbonylamino]pentanedioic acid
  • (2s)-2-[[5-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid
  • (2s)-2-[[[5-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-pyrido[5,6-e]pyrimidin-6-yl]ethyl]-2-thienyl]-oxomethyl]amino]pentanedioic acid
  • 4hf
  • 6r-2',5'-thienyl-5,10-dideazatetrahydrofolic acid
  • ly309887
  • n-[(5-{2-[(6r)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}-2-thienyl)carbonyl]-l-glutamic acid
InChIKey GQCXGHHHNACOGE-SKDRFNHKSA-N
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