(2S)-2-amino-5-[[(2R)-2-amino-3-(3-oxopropylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-2-amino-3-(3-oxopropylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ee52338b573d466aa14efcdf1db768eb.png "(2S)-2-amino-5-[[(2R)-2-amino-3-(3-oxopropylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-2-amino-3-(3-oxopropylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
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CAS No:
124521-13-7
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Formula:
C13H21N3O7S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-2-amino-3-(3-oxopropylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
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Synonyms:
Glutathionylpropionaldehyde; S-Aegl; S-(3-oxopropyl)glutathione; acrolein-GSH; GS-Propionaldehyde; S-(2-Aldehydoethyl)glutathione;Expand
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CAS No:
(2S)-2-amino-5-[[(2R)-2-amino-3-(3-oxopropylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Basic Attributes
363.38700
363.11002119
DTXSID50154421
Computed Properties
Molecular Weight:363.39
XLogP3:-7.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:363.11002119
Monoisotopic Mass:363.11002119
Topological Polar Surface Area:206
Heavy Atom Count:24
Complexity:486
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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