(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-1-phenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-1-phenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/aa0a9ac31de147308856cec889c1be25.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-1-phenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-1-phenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
64186-97-6
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Formula:
C18H25N3O7S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-1-phenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
1-PHEG;S-(1-phenyl-2-hydroxyethyl)glutathione;S-(1-Phenyl-2-hydroxyethyl)glutathione;64186-97-6;1-Pheg;DTXSID20982718;Glycine, N-(N-L-gamma-glutamyl-S-(2-hydroxy-1-phenylethyl)-L-cysteinyl)-;5-({1-[(Carboxymethyl)imino]-1-hydroxy-3-[(2-hydroxy-1-phenylethyl)sulfanyl]propan-2-yl}imino)-5-hydroxynorvaline
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-1-phenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
427.5 g/mol
427.14132132 g/mol
Computed Properties
Molecular Weight:427.5
XLogP3:-3.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:427.14132132
Monoisotopic Mass:427.14132132
Topological Polar Surface Area:204
Heavy Atom Count:29
Complexity:570
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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