(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxybut-3-en-2-ylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxybut-3-en-2-ylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/791dd714d9854f7db5700470de3b51d7.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxybut-3-en-2-ylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxybut-3-en-2-ylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
133872-49-8
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Formula:
C14H23N3O7S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxybut-3-en-2-ylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
1-HBG;S-(1-hydroxy-3-buten-2-yl)glutathione;S-(1-Hydroxy-3-buten-2-yl)glutathione;133872-49-8;1-HBG;DTXSID90928300;N-(N-L-gamma-Glutamyl-S-(1-(hydroxymethyl)-2-propenyl)-L-cysteinyl)glycine;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxybut-3-en-2-ylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;Glycine, N-(N-L-gamma-glutamyl-S-(1-(hydroxymethyl)-2-propenyl)-L-cysteinyl)-;5-({1-[(Carboxymethyl)imino]-1-hydroxy-3-[(1-hydroxybut-3-en-2-yl)sulfanyl]propan-2-yl}imino)-5-hydroxynorvaline
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxybut-3-en-2-ylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
377.42 g/mol
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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