Formula |
C17H22BrN3O6S |
IUPAC Name |
(2s)-2-amino-5-[[(1r)-1-[(4-bromophenyl)methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
476.342 g·mol−1 |
Heat of Formation |
-1044.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.07 ± 1.08 D |
Volume |
507.24 Å 3 |
Surface Area |
382.73 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
-0.72 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-5-[[(1r)-1-[(4-bromophenyl)methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
- (2s)-2-amino-5-[[(1r)-1-[[(4-bromobenzyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid
- (2s)-2-amino-5-[[(1r)-1-[[(4-bromophenyl)methylthio]methyl]-2-(carboxymethylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
- (2s)-2-amino-5-[[(2r)-3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
- ilg-pbb-gly
- n-(s-((4-bromophenyl)methyl)-n-l-gamma-glutamyl-l-cysteinyl)glycine
- s-(4-bromobenzyl)glutathione
- s-(p-bromobenzyl)glutathione
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InChIKey |
HMNYAPVDRLKBJH-STQMWFEESA-N |
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Links |
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Elements |
C
H
O
N
S
Br
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