n(Im)-ethoxycarbonyl-s-ethoxycarbonyl L-ergothioneine methyl ester iodide

CAS

162240-57-5

Catalog Number

ACM162240575

Category

Other Products

Molecular Weight

515.36

Molecular Formula

C₁₆H₂₆IN₃O₆S

MSDS COA Spec Sheet

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Specification

Synonyms

(S)-1-(Ethoxycarbonyl)-2-[(ethoxycarbonyl)thio]-α-(methoxycarbonyl)-N,N,N-trimethyl-1H-imidazole-4-ethanaminium Iodide;

IUPAC Name

[(2S)-3-(1-ethoxycarbonyl-2-ethoxycarbonylsulfanylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]-trimethylazanium;iodide

Canonical SMILES

CCOC(=O)N1C=C(N=C1SC(=O)OCC)CC(C(=O)OC)[N+](C)(C)C.[I-]

InChI Key

CQVZBTBSURUDKC-YDALLXLXSA-M

Exact Mass

515.05900

H-Bond Acceptor

H-Bond Donor

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