2-amino-5-[[1-(carboxymethylamino)-3-(6-chloro-3,4,5-trihydroxy-2-oxohexyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![2-amino-5-[[1-(carboxymethylamino)-3-(6-chloro-3,4,5-trihydroxy-2-oxohexyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1b109a35e6894948bd5a611c87518a3c.png "2-amino-5-[[1-(carboxymethylamino)-3-(6-chloro-3,4,5-trihydroxy-2-oxohexyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
2-amino-5-[[1-(carboxymethylamino)-3-(6-chloro-3,4,5-trihydroxy-2-oxohexyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
121108-88-1
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Formula:
C16H26ClN3O10S
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Chemical Name:
2-amino-5-[[1-(carboxymethylamino)-3-(6-chloro-3,4,5-trihydroxy-2-oxohexyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
6-Chlorofructos-1-yl-glutathione; 6-Dfgsh;
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CAS No:
2-amino-5-[[1-(carboxymethylamino)-3-(6-chloro-3,4,5-trihydroxy-2-oxohexyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
487.91000
487.1027429
Computed Properties
Molecular Weight:487.9
XLogP3:-5.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:16
Exact Mass:487.1027429
Monoisotopic Mass:487.1027429
Topological Polar Surface Area:262
Heavy Atom Count:31
Complexity:653
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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