(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-methylsulfonylethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-methylsulfonylethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e5f509ed1b2e4bc991e4b743d0f307f4.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-methylsulfonylethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-methylsulfonylethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
1290069-62-3
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Formula:
C13H23N3O8S2
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-methylsulfonylethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
UNII-ZCT279LS76;ZCT279LS76;Laromustine metabolite M3;VNP-4090CE metabolite M3;S-(2-(Methylsulfonyl)ethyl)gsh;S-(2-(Methylsulfonyl)ethyl)glutathione;Glycine, L-gamma-glutamyl-S-(2-(methylsulfonyl)ethyl)-L-cysteinyl-;1290069-62-3;2-Amino-5-((2-(carboxymethylamino)-1-(2-methylsulfonylethylsulfanylmethyl)-2-oxo-ethyl)amino)-5-oxo-pentanoic acid
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-methylsulfonylethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
413.5 g/mol
413.09265705 g/mol
ZCT279LS76
Computed Properties
Molecular Weight:413.5
XLogP3:-4.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:413.09265705
Monoisotopic Mass:413.09265705
Topological Polar Surface Area:227
Heavy Atom Count:26
Complexity:617
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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