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N(Im)-Ethoxycarbonyl-S-ethoxycarbonyl L-Ergothioneine Methyl Ester Iodide , CAS No.162240-57-5
an intermediate in the production of L-Ergothioneine
Basic Description
Synonyms | 1H-Imidazole-4-ethanaminium, 1-(ethoxycarbonyl)-2-[(ethoxycarbonyl)thio]-alpha-(methoxycarbonyl)-N,N,N-trimethyl-, iodide, (S)- (9CI) | N(Im)-Ethoxycarbonyl-S-ethoxycarbonyl L-Ergothioneine Methyl Ester Iodide | (S)-3-(1-(Ethoxycarbonyl)-2-((ethoxycarbony |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | N(Im)-Ethoxycarbonyl-S-ethoxycarbonyl L-Ergothioneine Methyl Ester Iodide is an intermediate in the production of L-Ergothioneine. |
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Names and Identifiers
IUPAC Name | [(2S)-3-(1-ethoxycarbonyl-2-ethoxycarbonylsulfanylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]-trimethylazanium;iodide |
INCHI | InChI=1S/C16H26N3O6S.HI/c1-7-24-15(21)18-10-11(17-14(18)26-16(22)25-8-2)9-12(13(20)23-6)19(3,4)5;/h10,12H,7-9H2,1-6H3;1H/q+1;/p-1/t12-;/m0./s1 |
InChi Key | CQVZBTBSURUDKC-YDALLXLXSA-M |
Canonical SMILES | CCOC(=O)N1C=C(N=C1SC(=O)OCC)CC(C(=O)OC)[N+](C)(C)C.[I-] |
Isomeric SMILES | CCOC(=O)N1C=C(N=C1SC(=O)OCC)C[C@@H](C(=O)OC)[N+](C)(C)C.[I-] |
PubChem CID | 10029489 |
Molecular Weight | 515.36 |
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