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Valifenalate

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For Research Use Only | Not For Clinical Use
CATAPS283159900
CAS283159-90-0
Structure
MDL NumberMFCD22373630
IUPAC Namemethyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
Molecular Weight398.88
Molecular FormulaC19H27ClN2O5
Canonical SMILESCOC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1
InChI KeyDBXFMOWZRXXBRN-LWKPJOBUSA-N
REAXYS Number11327531
Descriptionanalytical standard, mixture of isomers
Accurate Mass398.1608
Formneat; gas chromatography (GC): suitable
FormatNeat
Gradeanalytical standard
ShippingRoom Temperature
Size25MG
Storage Conditions+20°C
SubcategoryFungicides and metabolites
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