Valifenalate

enlarge

Systematic / IUPAC Name: Methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate

ID: Reference13327

Other Names: Valiphenal;
Methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate;
Methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-β-alaninate;
Methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-β-alaninate;
Methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-β-alaninate

Formula: C19H27ClN2O5

Class: Pesticides/Herbicides

Spectral Data

Valifenalate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 6107
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 1/28/2025 10:39:40 AM
View Mass Spec Data > >

Identificators

InChI InChI=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 Key DBXFMOWZRXXBRN-LWKPJOBUSA-N
Canonical SMILES CC(C)C(C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl)NC(=O)OC(C)C
CAS
Splash
Other Names Valiphenal;
Methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate;
Methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-β-alaninate;
Methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-β-alaninate;
Methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-β-alaninate;
AA-1568

In Other Databases

ChemSpider 9513453
ChEBI CHEBI:83610
PubChem 11338509