Metolachlor mercapturate

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For Research Use Only | Not For Clinical Use
CATAPS159956646
CAS159956-64-6
Structure
IUPAC Name(2R)-2-acetamido-3-[2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethyl]sulfanylpropanoic acid
Molecular Weight410.53
Molecular FormulaC20H30N2O5S
Canonical SMILESCCc1cccc(C)c1N(C(C)COC)C(=O)CSC[C@H](NC(=O)C)C(=O)O
InChIInChI=1S/C20H30N2O5S/c1-6-16-9-7-8-13(2)19(16)22(14(3)10-27-5)18(24)12-28-11-17(20(25)26)21-15(4)23/h7-9,14,17H,6,10-12H2,1-5H3,(H,21,23)(H,25,26)/t14?,17-/m0/s1
Accurate Mass410.1875
FormatNeat
Product TypeMetabolite
ShippingRoom Temperature
Storage Conditions+20°C
SubcategoryHerbicides and metabolites
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