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Leucine, N-(N2,N5-didecanoyl-L-ornithyl)-, methyl ester, L-
SpectraBase Compound ID E6RAwCQEHkV
InChI InChI=1S/C32H61N3O5/c1-6-8-10-12-14-16-18-22-29(36)33-24-20-21-27(31(38)35-28(25-26(3)4)32(39)40-5)34-30(37)23-19-17-15-13-11-9-7-2/h26-28H,6-25H2,1-5H3,(H,33,36)(H,34,37)(H,35,38)
InChIKey ONZANXVZTBOIBK-UHFFFAOYSA-N
Mol Weight 567.9 g/mol
Molecular Formula C32H61N3O5
Exact Mass 567.461122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSG4qqQUxko
Name Leucine, N-(N2,N5-didecanoyl-L-ornithyl)-, methyl ester, L-
CAS Registry Number 16859-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H61N3O5
InChI InChI=1S/C32H61N3O5/c1-6-8-10-12-14-16-18-22-29(36)33-24-20-21-27(31(38)35-28(25-26(3)4)32(39)40-5)34-30(37)23-19-17-15-13-11-9-7-2/h26-28H,6-25H2,1-5H3,(H,33,36)(H,34,37)(H,35,38)
InChIKey ONZANXVZTBOIBK-UHFFFAOYSA-N
Molecular Weight 567.856 g/mol
SMILES N(C(C(CCCNC(CCCCCCCCC)=O)NC(CCCCCCCCC)=O)=O)C(C(OC)=O)CC(C)C
SPLASH splash10-00vi-0492110000-526f16267a6ba2730eb4
Source of Spectrum F-25-5789-1
Synonyms Methyl 2-([2,5-bis(decanoylamino)pentanoyl]amino)-4-methylpentanoate 2-[2,5-bis(caprylamino)pentanoylamino]-4-methyl-valeric acid methyl ester 4-Methyl-2-[[1-oxo-2,5-bis(1-oxodecylamino)pentyl]amino]pentanoic acid methyl ester Methyl 2-[2,5-bis(decanoylamino)pentanoylamino]-4-methylpentanoate
Wiley ID 1407439