(2S)-2-amino-5-[[(2R)-3-(2-amino-5-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-3-(2-amino-5-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ac4b849957f2429db251d2818d67630c.png "(2S)-2-amino-5-[[(2R)-3-(2-amino-5-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-3-(2-amino-5-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
129762-74-9
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Formula:
C16H22N4O7S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-3-(2-amino-5-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
4-AGTP;4-amino-3-S-glutathionylphenol;129762-74-9;4-Agtp;4-Amino-3-S-glutathionylphenol;DTXSID90926487;4-amino-3-(glutathion-S-yl)phenol;L-gammaGlu-S-(2-Amino-5-hydroxyphenyl)-L-Cys-Gly-OH;Glycine, N-(S-(2-amino-5-hydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)-;N-(S-(2-Amino-5-hydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine;5-({3-[(2-Amino-5-hydroxyphenyl)sulfanyl]-1-[(carboxymethyl)imino]-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline
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CAS No:
(2S)-2-amino-5-[[(2R)-3-(2-amino-5-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
414.4 g/mol
414.12092023 g/mol
Computed Properties
Molecular Weight:414.4
XLogP3:-3.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:414.12092023
Monoisotopic Mass:414.12092023
Topological Polar Surface Area:230
Heavy Atom Count:28
Complexity:577
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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