(2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
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![(2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/47070c0224bd49409c0b16fa94016276.png "(2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid")
(2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
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CAS No:
42849-28-5
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Formula:
C7H14N2O4S
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Chemical Name:
(2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid
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Synonyms:
beta-methyl-lanthionine;beta-methyllanthionine;beta-Methyllanthionine;UNII-MZ6AHU9TAO;MZ6AHU9TAO;42849-28-5;(2S,3S,6R)-3-methyllanthionine;(2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid;beta-methyl-lanthionine;DTXSID70195533;(2S,3S,2'R)-beta-Methyllanthionine;Q27284308;UNII-MZ6AHU9TAO component NSGOABPZARPCFM-VAYJURFESA-N;Butanoic acid, 2-amino-3-((2-amino-2-carboxyethyl)thio)-, (2S-(2R*,3R*(S*)))-
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CAS No:
(2S,3S)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid Basic Attributes
222.26 g/mol
222.06742811 g/mol
MZ6AHU9TAO
DTXSID70195533
Computed Properties
Molecular Weight:222.26
XLogP3:-5.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:222.06742811
Monoisotopic Mass:222.06742811
Topological Polar Surface Area:152
Heavy Atom Count:14
Complexity:224
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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