(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/950a6f8b14f04b66bfdcc5b018e5b808.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
structure -
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CAS No:
117383-28-5
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Formula:
C16H16Cl3N3O8S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
2,5,6-trichloro-3-(glutathion-S-yl)-1,4-benzoquinone;2-(S-glutathionyl)-3,5,6-trichloro-1,4-benzoquinone;2-gluthionyl-3,5,6-trichloro-1,4-benzoquinone;GS-1,4-TCBQ;2,5,6-Trichloro-3-(glutathion-S-yl)-1,4-benzoquinone;117383-28-5;GS-1,4-Tcbq;2-Gluthionyl-3,5,6-trichloro-1,4-benzoquinone;2-(S-Glutathionyl)-3,5,6-trichloro-1,4-benzoquinone;DTXSID60922411;L-gammaGlu-S-(3,6-Dioxo-2,4,5-trichloro-1,4-cyclohexadienyl)-L-Cys-Gly-OH;5-({1-[(Carboxymethyl)imino]-1-hydroxy-3-[(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanyl]propan-2-yl}imino)-5-hydroxynorvaline;Glycine, N-(N-L-gamma-glutamyl-S-(2,4,5-trichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-cysteinyl)-
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
516.7 g/mol
514.972369 g/mol
Computed Properties
Molecular Weight:516.7
XLogP3:-1.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:514.972369
Monoisotopic Mass:514.972369
Topological Polar Surface Area:218
Heavy Atom Count:31
Complexity:889
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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