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L-Valinamide, N-(1-oxodecyl)glycyl-N-[1-(2-methoxy-2-oxoethyl)-4-[(1-oxodecyl)amino]butyl]-, (S)-
SpectraBase Compound ID 3q6Z2i4oJbK
InChI InChI=1S/C34H64N4O6/c1-6-8-10-12-14-16-18-22-29(39)35-24-20-21-28(25-32(42)44-5)37-34(43)33(27(3)4)38-31(41)26-36-30(40)23-19-17-15-13-11-9-7-2/h27-28,33H,6-26H2,1-5H3,(H,35,39)(H,36,40)(H,37,43)(H,38,41)
InChIKey PLLJAERLOZYKQJ-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 ARpPBCXaOay
Name L-Valinamide, N-(1-oxodecyl)glycyl-N-[1-(2-methoxy-2-oxoethyl)-4-[(1-oxodecyl)amino]butyl]-, (S)-
CAS Registry Number 33912-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H64N4O6
InChI InChI=1S/C34H64N4O6/c1-6-8-10-12-14-16-18-22-29(39)35-24-20-21-28(25-32(42)44-5)37-34(43)33(27(3)4)38-31(41)26-36-30(40)23-19-17-15-13-11-9-7-2/h27-28,33H,6-26H2,1-5H3,(H,35,39)(H,36,40)(H,37,43)(H,38,41)
InChIKey PLLJAERLOZYKQJ-UHFFFAOYSA-N
Molecular Weight 624.908 g/mol
SMILES N(C(CCCNC(CCCCCCCCC)=O)CC(OC)=O)C(C(NC(CNC(CCCCCCCCC)=O)=O)C(C)C)=O
SPLASH splash10-00di-9212000000-efab862f7df0aa5537e4
Source of Spectrum O-6-4-2
Synonyms Methyl 6-(decanoylamino)-3-[(2-([(decanoylamino)acetyl]amino)-3-methylbutanoyl)amino]hexanoate 3-[[3-methyl-1-oxo-2-[[1-oxo-2-(1-oxodecylamino)ethyl]amino]butyl]amino]-6-(1-oxodecylamino)hexanoic acid methyl ester 6-(caprylamino)-3-[[2-[[2-(caprylamino)acetyl]amino]-3-methyl-butanoyl]amino]hexanoic acid methyl ester Hexanoic acid, 6-decanamido-3-[L-2-(2-decanamidoacetamido)-3-methylbutyramido]-, methyl ester, L- Methyl 6-(decanoylamino)-3-[[2-[2-(decanoylamino)ethanoylamino]-3-methyl-butanoyl]amino]hexanoate Methyl 6-(decanoylamino)-3-[[2-[[2-(decanoylamino)acetyl]amino]-3-methyl-butanoyl]amino]hexanoate
Wiley ID 1411775