(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2fc0c38c4f904d33add64a01782783c7.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
38134-58-6
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Formula:
C13H21ClN4O7S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
S-((2-chloroethyl)carbamoyl)glutathione;SCCG;UNII-A50PLT62LB;S-((2-Chloroethyl)carbamoyl)glutathione;2-Chloroethyl-S-carbamoylglutathione;38134-58-6;A50PLT62LB;CCRIS 3036;N-(S-(((2-chloroethyl)amino)carbonyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine;S-[(2-Chloroethyl)carbamoyl]glutathione;SCHEMBL15660979;DTXSID90959073;Glycine, N-(S-(((2-chloroethyl)amino)carbonyl)-N-L-gamma-glutamyl-L-cysteinyl)-;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;S-[(2-chloroethyl)carbamoyl] glutathione;Q27273636;5-({1-[(Carboxymethyl)imino]-3-({[(2-chloroethyl)imino](hydroxy)methyl}sulfanyl)-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
412.85 g/mol
412.0819479 g/mol
A50PLT62LB
Computed Properties
Molecular Weight:412.85
XLogP3:-3.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:412.0819479
Monoisotopic Mass:412.0819479
Topological Polar Surface Area:213
Heavy Atom Count:26
Complexity:535
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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