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N-Desmethyl L-Ergothioneine Methyl Ester , CAS No.162138-71-8
an intermediate in the production of L-Ergothioneine
Basic Description
Synonyms | J-009897 | Methyl (S)-2-(dimethylamino)-3-(2-mercapto-1H-imidazol-5-yl)propanoate | methyl (2S)-2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate | AKOS030243352 | N-Desmethyl L-Ergothioneine Methyl Ester | DTXSID80433796 |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | methyl (2S)-2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate |
INCHI | InChI=1S/C9H15N3O2S/c1-12(2)7(8(13)14-3)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2,10,11,15)/t7-/m0/s1 |
InChi Key | RRTOEEXBIOEGRQ-ZETCQYMHSA-N |
Canonical SMILES | CN(C)C(CC1=CNC(=S)N1)C(=O)OC |
Isomeric SMILES | CN(C)[C@@H](CC1=CNC(=S)N1)C(=O)OC |
PubChem CID | 9991428 |
Molecular Weight | 229.3 |
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