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
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Synonyms
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- (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
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InChIKey |
DAOQLLQRJAXMGY-PBHICJAKSA-N |
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Elements |
H
C
O
N
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