N-{4-[(1R)-2-(2-Amino-4-Oxo-1,4-Dihydro-6-Quinazolinyl)-1-Carboxyethyl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C23H22N4O8
IUPAC Name (2s)-2-[[4-[(1r)-2-(2-amino-4-oxo-1h-quinazolin-6-yl)-1-carboxy-ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 482.443 g·mol−1
Heat of Formation -1326.3 ± 16.7 kJ·mol−1
Dipole Moment 1.38 ± 1.08 D
Volume 537.45 Å 3
Surface Area 406.1 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • (10r)-10-formyl-5,8,10-trideazafolic acid
  • (2s)-2-[[4-[(1r)-1-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl]-2-hydroxy-2-keto-ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(1r)-1-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl]-2-hydroxy-2-oxo-ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2r)-3-(2-amino-4-oxo-1h-quinazolin-6-yl)-1-hydroxy-1-oxo-propan-2-yl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2r)-3-(2-amino-4-oxo-1h-quinazolin-6-yl)-1-hydroxy-1-oxopropan-2-yl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(1r)-1-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl]-2-hydroxy-2-oxoethyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-{4-[2-(2-amino-4-hydroxy-quinazolin-6-yl)-1-carboxy-ethyl]-benzoylamino}-pentanedioic acid
  • nhr
InChIKey DAOQLLQRJAXMGY-PBHICJAKSA-N
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