Formula |
C23H24FN5O6 |
IUPAC Name |
(2s)-2-[[4-[(2-amino-4-oxo-quinazolin-1-ium-3-id-6-yl)methyl-(2-fluoroethyl)amino]benzoyl]amino]pentanedioic acid |
Molecular Mass |
485.465 g·mol−1 |
Heat of Formation |
-1032.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.30 ± 1.08 D |
Volume |
545.21 Å 3 |
Surface Area |
475.78 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
-0.87 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl-(2-fluoroethyl)amino]benzoyl]amino]glutaric acid
- (2s)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-(2-fluoroethyl)amino]benzoyl]amino]pentanedioic acid
- (2s)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-(2-fluoroethyl)amino]phenyl]carbonylamino]pentanedioic acid
- (2s)-2-[[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-(2-fluoroethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid
- cb 3731
- cb-3731
- l-glutamic acid, n-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)(2-fluoroethyl)amino)benzoyl)-
- n-(4-((n-(2-amino-4-hydroxy-6-quinazolinyl)methyl)-n-(fluoroethyl)amino)benzoyl)glutamic acid
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CAS Number(s) |
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InChIKey |
QUHSPLVBAACUQP-SFHVURJKSA-N |
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Links |
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Elements |
H
C
N
O
F
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