CAS
16212-85-4 Purity
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16212-85-4 Purity
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N-Desmethyl L-ergothioneine methyl ester
CAS
162138-71-8
Catalog Number
ACM162138718
Category
Other Products
Molecular Weight
229.30
Molecular Formula
C9H15N3O2S
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Specification
Synonyms
(S)-α-(Dimethylamino)-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic Acid Methyl Ester; N,N-Dimethyl-2-mercapto-L-histidine Methyl Ester;
IUPAC Name
methyl (2S)-2-(dimethylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate
Canonical SMILES
CN(C)C(CC1=CNC(=S)N1)C(=O)OC
InChI Key
RRTOEEXBIOEGRQ-ZETCQYMHSA-N
Exact Mass
229.08800
H-Bond Acceptor
4
H-Bond Donor
2
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