Formula |
C21H20ClN5O6 |
IUPAC Name |
(2s)-2-[[4-[[(2-amino-5-chloro-4-oxo-1h-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid |
Molecular Mass |
473.866 g·mol−1 |
Heat of Formation |
-848.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.84 ± 1.08 D |
Volume |
515.2 Å 3 |
Surface Area |
456.48 Å 2 |
HOMO Energy |
-8.50 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[4-[[(2-amino-5-chloro-4-keto-1h-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid
- (2s)-2-[[4-[[(2-amino-5-chloro-4-oxo-1h-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
- (2s)-2-[[4-[[(2-amino-5-chloro-4-oxo-1h-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid
- (2s)-2-[[[4-[[(2-amino-5-chloro-4-oxo-1h-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
- 5-cddifa
- 5-chloro-5,8-dideazaisofolic acid
- l-glutamic acid, n-(4-(((2-amino-5-chloro-1,4-dihydro-4-oxo-6-quinazolinyl)aino)methyl)benzol)-
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CAS Number(s) |
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InChIKey |
GBFUWHPCXNMVFC-AWEZNQCLSA-N |
QR Code |
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Links |
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DOI |
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Elements |
H
C
N
O
Cl
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