(2S)-2-amino-5-[[(2R)-3-(3-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-3-(3-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d057295196104559940dca4c04aee772.png "(2S)-2-amino-5-[[(2R)-3-(3-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-3-(3-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
139035-71-5
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Formula:
C20H29N3O8S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-3-(3-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
6-(S-glutathionyl)-2-tert-butylhydroquinone;6GS-TBHQ conjugate;139035-71-5;6GS-Tbhq conjugate;6-(S-Glutathionyl)-2-tert-butylhydroquinone;DTXSID90930286;N-(S-(3-(1,1-Dimethylethyl)-2,5-dihydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine;2-t-butyl-6-(glutathion-S-yl)hydroquinone;L-gammaGlu-S-(2,5-Dihydroxy-3-tert-butylphenyl)-L-Cys-Gly-OH;5-({3-[(3-tert-Butyl-2,5-dihydroxyphenyl)sulfanyl]-1-[(carboxymethyl)imino]-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline;Glycine, N-(S-(3-(1,1-dimethylethyl)-2,5-dihydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)-
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CAS No:
(2S)-2-amino-5-[[(2R)-3-(3-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
471.5 g/mol
471.16753607 g/mol
Computed Properties
Molecular Weight:471.5
XLogP3:-1.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:471.16753607
Monoisotopic Mass:471.16753607
Topological Polar Surface Area:225
Heavy Atom Count:32
Complexity:684
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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