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L-Valinamide, N-(1-oxodecyl)glycyl-N-[6-methoxy-6-oxo-4-[(1-oxodecyl)amino]hexyl]-, (S)-
SpectraBase Compound ID IeWeDl5kk2D
InChI InChI=1S/C34H64N4O6/c1-6-8-10-12-14-16-18-22-29(39)36-26-31(41)38-33(27(3)4)34(43)35-24-20-21-28(25-32(42)44-5)37-30(40)23-19-17-15-13-11-9-7-2/h27-28,33H,6-26H2,1-5H3,(H,35,43)(H,36,39)(H,37,40)(H,38,41)
InChIKey FJZPJVYKXUDISR-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 DCfwE8E7Np4
Name L-Valinamide, N-(1-oxodecyl)glycyl-N-[6-methoxy-6-oxo-4-[(1-oxodecyl)amino]hexyl]-, (S)-
CAS Registry Number 33861-95-9
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)36-26-31(41)38-33(27(3)4)34(43)35-24-20-21-28(25-32(42)44-5)37-30(40)23-19-17-15-13-11-9-7-2/h27-28,33H,6-26H2,1-5H3,(H,35,43)(H,36,39)(H,37,40)(H,38,41)
InChIKey FJZPJVYKXUDISR-UHFFFAOYSA-N
Molecular Weight 624.908 g/mol
SMILES N(C(CCCNC(C(NC(CNC(CCCCCCCCC)=O)=O)C(C)C)=O)CC(OC)=O)C(CCCCCCCCC)=O
SPLASH splash10-00dl-9312000000-e1f840432f355c100fda
Source of Spectrum W5-1989-40857-24679
Synonyms Methyl 3-(decanoylamino)-6-[(2-([(decanoylamino)acetyl]amino)-3-methylbutanoyl)amino]hexanoate 3-(caprylamino)-6-[[2-[[2-(caprylamino)acetyl]amino]-3-methyl-butanoyl]amino]hexanoic acid methyl ester 6-[[3-methyl-1-oxo-2-[[1-oxo-2-(1-oxodecylamino)ethyl]amino]butyl]amino]-3-(1-oxodecylamino)hexanoic acid methyl ester Hexanoic acid, 3-decanamido-6-[L-2-(2-decanamidoacetamido)-3-methylbutyramido]-, methyl ester, L- Hexanoic acid, 6-[[3-methyl-2-[[[(1-oxodecyl)amino]acetyl]amino]acetyl]amino]-3-[(1-oxodecyl)amino]-, methyl ester, [S-(R*,R*)]- Hexanoic acid, 6-[[3-methyl-2-[[[(1-oxodecyl)amino]acetyl]amino]acetyl]amino]-3-[(1-oxodecyl)amino]-, methyl ester, [S-(R,R)]- Methyl 3-(decanoylamino)-6-[[2-[2-(decanoylamino)ethanoylamino]-3-methyl-butanoyl]amino]hexanoate Methyl 3-(decanoylamino)-6-[[2-[[2-(decanoylamino)acetyl]amino]-3-methyl-butanoyl]amino]hexanoate
Wiley ID 1411774