N-{4-[(1S)-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-[(1s)-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 -1340.4 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 542.53 Å 3
Surface Area 406.85 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(1s)-1-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl]-2-hydroxy-2-keto-ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(1s)-1-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl]-2-hydroxy-2-oxo-ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2s)-3-(2-amino-4-oxo-1h-quinazolin-6-yl)-1-hydroxy-1-oxo-propan-2-yl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[(1s)-1-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl]-2-hydroxy-2-oxoethyl]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey DAOQLLQRJAXMGY-YOEHRIQHSA-N
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