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(2S)-2-(dimethylamino)-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
SpectraBase Compound ID a8aY5PR5HW
InChI InChI=1S/C15H26N2O5S3/c1-11-13(8-10-22-25(4,20)21)24-15(23)17(11)9-6-5-7-12(14(18)19)16(2)3/h12H,5-10H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKey DFBZAORRLDDHOH-LBPRGKRZSA-N
Mol Weight 410.56 g/mol
Molecular Formula C15H26N2O5S3
Exact Mass 410.100385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZfzCjut8qo
Name (2S)-2-(dimethylamino)-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
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Formula C15H26N2O5S3
InChI InChI=1S/C15H26N2O5S3/c1-11-13(8-10-22-25(4,20)21)24-15(23)17(11)9-6-5-7-12(14(18)19)16(2)3/h12H,5-10H2,1-4H3,(H,18,19)/t12-/m0/s1
InChIKey DFBZAORRLDDHOH-LBPRGKRZSA-N
Molecular Weight 410.562 g/mol
SMILES OC([C@](CCCCN1C(SC(CCOS(=O)(=O)C)=C1C)=S)(N(C)C)[H])=O
SPLASH splash10-0abj-3900000000-9ba90ce970c827141608
Source of Spectrum KC-0-870-35
Synonyms (2S)-2-(dimethylamino)-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-sulfanylidene-3-thiazolyl]hexanoic acid (2S)-2-(dimethylamino)-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-thioxo-4-thiazolin-3-yl]hexanoic acid (2S)-2-(dimethylamino)-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-thioxo-thiazol-3-yl]hexanoic acid
Wiley ID 783350