Formula |
C24H23N5O6 |
IUPAC Name |
(2r)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid |
Molecular Mass |
477.469 g·mol−1 |
Heat of Formation |
-593.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.66 ± 1.08 D |
Volume |
551.77 Å 3 |
Surface Area |
458.21 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
-0.78 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-[[4-[(2-amino-4-keto-1h-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid
- (2r)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
- (2r)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
- (2r)-2-[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
- (2r)-2-[[[4-[(2-amino-4-oxo-1h-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
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InChIKey |
LTKHPMDRMUCUEB-LJQANCHMSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
N
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