N-(4-{2-[(6R)-2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Quinazolinyl]Ethyl}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C22H26N4O6
IUPAC Name (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydroquinazolin-1-ium-3-id-6-yl]ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 442.465 g·mol−1
Heat of Formation -1003.0 ± 16.7 kJ·mol−1
Dipole Moment 9.87 ± 1.08 D
Volume 518.6 Å 3
Surface Area 459.22 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-quinazolin-6-yl]ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-quinazolin-6-yl]ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-quinazolin-6-yl]ethyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-quinazolin-6-yl]ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • (r)-n-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-quinazolinyl)ethyl)benzoyl)-l-glutamic acid
  • 5,8,10-trideaza-5,6,7,8-tetrahydrofolate
  • 5,8,10-trideaza-5,6,7,8-tetrahydropteroylglutamic acid
  • l-glutamic acid, n-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-quinazolinyl)ethyl)benzoyl)-, (r)-
CAS Number(s)
  • 118537-33-0
InChIKey TXHRVJYDANXEGJ-DYVFJYSZSA-N
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