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L-Valine, N-[N-[N2,N6-bis(1-oxodecyl)-L-lysyl]glycyl]-, methyl ester
SpectraBase Compound ID JsYOHnt0bdv
InChI InChI=1S/C34H64N4O6/c1-6-8-10-12-14-16-18-23-29(39)35-25-21-20-22-28(37-30(40)24-19-17-15-13-11-9-7-2)33(42)36-26-31(41)38-32(27(3)4)34(43)44-5/h27-28,32H,6-26H2,1-5H3,(H,35,39)(H,36,42)(H,37,40)(H,38,41)
InChIKey LWZWJUDUQIKRFT-UHFFFAOYSA-N
Mol Weight 624.9 g/mol
Molecular Formula C34H64N4O6
Exact Mass 624.482586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Vci9ByYqNb
Name L-Valine, N-[N-[N2,N6-bis(1-oxodecyl)-L-lysyl]glycyl]-, methyl ester
CAS Registry Number 33281-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H64N4O6
InChI InChI=1S/C34H64N4O6/c1-6-8-10-12-14-16-18-23-29(39)35-25-21-20-22-28(37-30(40)24-19-17-15-13-11-9-7-2)33(42)36-26-31(41)38-32(27(3)4)34(43)44-5/h27-28,32H,6-26H2,1-5H3,(H,35,39)(H,36,42)(H,37,40)(H,38,41)
InChIKey LWZWJUDUQIKRFT-UHFFFAOYSA-N
Molecular Weight 624.908 g/mol
SMILES N(C(C(OC)=O)C(C)C)C(CNC(C(CCCCNC(CCCCCCCCC)=O)NC(CCCCCCCCC)=O)=O)=O
SPLASH splash10-05fu-9320000000-4bc0bc95ae2f80ba82bc
Source of Spectrum O6-0-1-0
Synonyms Methyl 2-[(([2,6-bis(decanoylamino)hexanoyl]amino)acetyl)amino]-3-methylbutanoate 2-[[2-[2,6-bis(caprylamino)hexanoylamino]acetyl]amino]-3-methyl-butyric acid methyl ester 3-Methyl-2-[[1-oxo-2-[[1-oxo-2,6-bis(1-oxodecylamino)hexyl]amino]ethyl]amino]butanoic acid methyl ester Methyl 2-[2-[2,6-bis(decanoylamino)hexanoylamino]ethanoylamino]-3-methyl-butanoate Methyl 2-[[2-[2,6-bis(decanoylamino)hexanoylamino]acetyl]amino]-3-methyl-butanoate Valine, N-[N-(N2,N6-didecanoyl-L-lysyl)glycyl]-, methyl ester, L-
Wiley ID 1411771