(2S)-2-amino-3-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]propanoic acid
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![(2S)-2-amino-3-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/421f3a914ddd456fbf1d5003c4255db4.png "(2S)-2-amino-3-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]propanoic acid")
(2S)-2-amino-3-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]propanoic acid
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CAS No:
110823-49-9
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Formula:
C14H19N3O7S
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Chemical Name:
(2S)-2-amino-3-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]propanoic acid
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Synonyms:
5-S-cysteinyl-glycine-dopa;5-S-cysteinyl-glycyl-dopa;5-S-cysteinyl-glycyldopa;110823-49-9;5-S-Cysteinyl-glycyldopa;5-S-Cysteinyl-glycyl-dopa;5-S-Cysteinyl-glycine-dopa;DTXSID40911868;3-({2-Amino-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxytyrosine
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CAS No:
(2S)-2-amino-3-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-4,5-dihydroxyphenyl]propanoic acid Basic Attributes
373.38 g/mol
373.09437113 g/mol
Computed Properties
Molecular Weight:373.38
XLogP3:-5.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:373.09437113
Monoisotopic Mass:373.09437113
Topological Polar Surface Area:222
Heavy Atom Count:25
Complexity:493
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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