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L-Valine, N-[N-(1-oxodecyl)-L-alanyl]-, methyl ester
SpectraBase Compound ID GuNTZNJiYGf
InChI InChI=1S/C19H36N2O4/c1-6-7-8-9-10-11-12-13-16(22)20-15(4)18(23)21-17(14(2)3)19(24)25-5/h14-15,17H,6-13H2,1-5H3,(H,20,22)(H,21,23)
InChIKey CJBPUHACPCYPOG-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C19H36N2O4
Exact Mass 356.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4I3Nx2xBqK
Name L-Valine, N-[N-(1-oxodecyl)-L-alanyl]-, methyl ester
CAS Registry Number 28415-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36N2O4
InChI InChI=1S/C19H36N2O4/c1-6-7-8-9-10-11-12-13-16(22)20-15(4)18(23)21-17(14(2)3)19(24)25-5/h14-15,17H,6-13H2,1-5H3,(H,20,22)(H,21,23)
InChIKey CJBPUHACPCYPOG-UHFFFAOYSA-N
Molecular Weight 356.507 g/mol
SMILES N(C(C(OC)=O)C(C)C)C(C(NC(CCCCCCCCC)=O)C)=O
SPLASH splash10-0007-9410000000-ffce0ec87704d07abcbb
Source of Spectrum O-3-795-5
Synonyms Methyl 2-([2-(decanoylamino)propanoyl]amino)-3-methylbutanoate 2-[2-(caprylamino)propanoylamino]-3-methyl-butyric acid methyl ester 3-Methyl-2-[[1-oxo-2-(1-oxodecylamino)propyl]amino]butanoic acid methyl ester Valine, N-(N-decanoyl-L-alanyl)-, methyl ester, L- Methyl 2-[2-(decanoylamino)propanoylamino]-3-methylbutanoate
Wiley ID 52695