(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0ffadc96c4ca4e2180449527c7f45544.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
50409-83-1
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Formula:
C18H23N3O8S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
S-mandelylglutathione;S-Mandelylglutathione;50409-83-1;S-mandeloylglutathione;DTXSID10964664;Glycine, N-(N-L-gamma-glutamyl-S-(hydroxyphenylacetyl)-L-cysteinyl)-;5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[hydroxy(phenyl)acetyl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
441.5 g/mol
441.12058587 g/mol
Computed Properties
Molecular Weight:441.5
XLogP3:-3.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:441.12058587
Monoisotopic Mass:441.12058587
Topological Polar Surface Area:221
Heavy Atom Count:30
Complexity:639
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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