Formula |
C16H20BrN3O8S |
IUPAC Name |
(2s)-2-amino-5-[[(1r)-1-[(2-bromo-3,6-dihydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
494.314 g·mol−1 |
Heat of Formation |
-1388.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.84 ± 1.08 D |
Volume |
492.47 Å 3 |
Surface Area |
407.9 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2s)-2-amino-5-[[(1r)-1-[(2-bromo-3,6-dihydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
- (2s)-2-amino-5-[[(1r)-1-[[(2-bromo-3,6-dihydroxy-phenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
- (2s)-2-amino-5-[[(1r)-1-[[(2-bromo-3,6-dihydroxyphenyl)thio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
- (2s)-2-amino-5-[[(2r)-3-(2-bromo-3,6-dihydroxy-phenyl)sulfanyl-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
- 2-bromo-3-(glutathion-s-yl)hydroquinone
- hydroquinone, 2-bromo-3-(glutathion-s-yl)-
|
CAS Number(s) |
|
InChIKey |
BLTARCLVXNKQHX-YUMQZZPRSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
C
H
O
N
S
Br
|
|
|