(2S)-2-amino-5-[[(2R)-3-(3-bromo-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-bromo-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7312c9bf5d0042479e89a12ac7d2e713.png "(2S)-2-amino-5-[[(2R)-3-(3-bromo-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-3-(3-bromo-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
114865-64-4
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Formula:
C16H20BrN3O8S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-3-(3-bromo-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
2-Br-6-(GSyl)HQ;2-bromo-6-(glutathion-S-yl)hydroquinone;2-bromo-6-(glutathion-S-yl)hydroquinone, 35S-labeled;114865-64-4;2-Bromo-6-(glutathion-S-yl)hydroquinone;2-Br-6-(Gsyl)HQ;2-Bromo-6-(monoglutathion-S-yl)hydroquinone;DTXSID50921519;Glycine, L-gamma-glutamyl-S-(3-bromo-2,5-dihydroxyphenyl)-L-cysteinyl-;N-(5-(3-Bromo-2,5-dihydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine;2-bromo-6-glutathion-S-yl-hydroquinone;Glycine, N-(5-(3-bromo-2,5-dihydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)-;5-({3-[(3-Bromo-2,5-dihydroxyphenyl)sulfanyl]-1-[(carboxymethyl)imino]-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline
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CAS No:
(2S)-2-amino-5-[[(2R)-3-(3-bromo-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
494.3 g/mol
493.01545 g/mol
Computed Properties
Molecular Weight:494.3
XLogP3:-2.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:493.01545
Monoisotopic Mass:493.01545
Topological Polar Surface Area:225
Heavy Atom Count:29
Complexity:611
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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