(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxybut-3-enylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxybut-3-enylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9691950d91ac433ab206626c2db471ea.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxybut-3-enylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxybut-3-enylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
133872-48-7
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Formula:
C14H23N3O7S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxybut-3-enylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
Glycine,L-g-glutamyl-S-(2-hydroxy-3-butenyl)-L-cysteinyl-(9CI); 2-HBG; Glycine,N-[N-L-g-glutamyl-S-(2-hydroxy-3-butenyl)-L-cysteinyl]; S-(2-Hydroxy-3-buten-1-yl)glutathione;
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxybut-3-enylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
377.41300
377.12567125 g/mol
Computed Properties
Molecular Weight:377.42
XLogP3:-4.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:377.12567125
Monoisotopic Mass:377.12567125
Topological Polar Surface Area:204
Heavy Atom Count:25
Complexity:501
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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