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L-Alanine, N-[N-[N-[N-[N2,N5-bis(1-oxodecyl)-L-ornithyl]-L-leucyl]glycyl]-L-leucyl]-, methyl ester
SpectraBase Compound ID 9p3Mqegdhag
InChI InChI=1S/C43H80N6O8/c1-9-11-13-15-17-19-21-25-37(50)44-27-23-24-34(47-38(51)26-22-20-18-16-14-12-10-2)41(54)49-35(28-31(3)4)40(53)45-30-39(52)48-36(29-32(5)6)42(55)46-33(7)43(56)57-8/h31-36H,9-30H2,1-8H3,(H,44,50)(H,45,53)(H,46,55)(H,47,51)(H,48,52)(H,49,54)
InChIKey QRTRJLHGWKGZOW-UHFFFAOYSA-N
Mol Weight 809.1 g/mol
Molecular Formula C43H80N6O8
Exact Mass 808.603764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kFVKTbjplF
Name L-Alanine, N-[N-[N-[N-[N2,N5-bis(1-oxodecyl)-L-ornithyl]-L-leucyl]glycyl]-L-leucyl]-, methyl ester
Alternate Name(s) Methyl 14-(decanoylamino)-5,11-diisobutyl-2-methyl-4,7,10,13,19-pentaoxo-3,6,9,12,18-pentaazaoctacosan-1-oate 2-[[2-[[2-[[2-[2,5-bis(caprylamino)pentanoylamino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propionic acid methyl ester 2-[[4-methyl-2-[[2-[[4-methyl-1-oxo-2-[[1-oxo-2,5-bis(1-oxodecylamino)pentyl]amino]pentyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]propanoic acid methyl ester Methyl 2-[[2-[2-[[2-[2,5-bis(decanoylamino)pentanoylamino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoate Methyl 2-[[2-[[2-[[2-[2,5-bis(decanoylamino)pentanoylamino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoate
CAS Registry Number 56009-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H80N6O8
InChI InChI=1S/C43H80N6O8/c1-9-11-13-15-17-19-21-25-37(50)44-27-23-24-34(47-38(51)26-22-20-18-16-14-12-10-2)41(54)49-35(28-31(3)4)40(53)45-30-39(52)48-36(29-32(5)6)42(55)46-33(7)43(56)57-8/h31-36H,9-30H2,1-8H3,(H,44,50)(H,45,53)(H,46,55)(H,47,51)(H,48,52)(H,49,54)
InChIKey QRTRJLHGWKGZOW-UHFFFAOYSA-N
Molecular Weight 809.147 g/mol
SMILES N(C(C(CCCNC(CCCCCCCCC)=O)NC(CCCCCCCCC)=O)=O)C(C(NCC(NC(C(NC(C(OC)=O)C)=O)CC(C)C)=O)=O)CC(C)C
SPLASH splash10-0ab9-0411957000-a706b806a114cd13fdfe
Source of Spectrum F-25-5787-0
Wiley ID 1417271