(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5b7a89bdb72d496c9532b54a97e6708e.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
24435-27-6
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Formula:
C18H33N3O6S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
S-octylglutathione;S-Octylglutathione;S-Octyl glutathione;L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE;S-Octyl GSH;24435-27-6;AC1L9E1T;SCHEMBL3796095;ZINC8234408;DB03032;(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;gamma-glutamyl-S-(octyl)cysteinyl-glycine;GTY;L-gamma-glutamyl-S-octyl-L-cysteinylglycine;C11302;Q27460918;(2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-(octylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid;(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-(octylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-octylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
419.5 g/mol
419.20900695 g/mol
Computed Properties
Molecular Weight:419.5
XLogP3:-0.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:419.20900695
Monoisotopic Mass:419.20900695
Topological Polar Surface Area:184
Heavy Atom Count:28
Complexity:504
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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