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(S,S)-Benthiavalicarb-isopropyl

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For Research Use Only | Not For Clinical Use
CATAPS221654724
CAS221654-72-4
SynonymsCarbamic acid, [(1S)-1-[[[(1S)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]-, 1-methylethyl ester (9CI)
IUPAC Namepropan-2-yl N-[(2S)-1-[[(1S)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Weight381.46
Molecular FormulaC18H24FN3O3S
Canonical SMILESCC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1nc2ccc(F)cc2s1
InChIInChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15-/m0/s1
Accurate Mass381.1522
FormatNeat
Shipping+20°C
Storage Conditions+20°C
SubcategoryFungicides and metabolites
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