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Leucine, N-[N2,N6-bis(1-adamantylcarbonyl)-L-lysyl]-, methyl ester, L-
SpectraBase Compound ID 7N5PPenE8yN
InChI InChI=1S/C35H55N3O5/c1-21(2)8-29(31(40)43-3)37-30(39)28(38-33(42)35-18-25-12-26(19-35)14-27(13-25)20-35)6-4-5-7-36-32(41)34-15-22-9-23(16-34)11-24(10-22)17-34/h21-29H,4-20H2,1-3H3,(H,36,41)(H,37,39)(H,38,42)/t22-,23+,24-,25-,26+,27-,28?,29?,34-,35-
InChIKey CXHYTOMFTVQWPA-KQXPFLMPSA-N
Mol Weight 597.8 g/mol
Molecular Formula C35H55N3O5
Exact Mass 597.414172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtUBJyGMiq3
Name Leucine, N-[N2,N6-bis(1-adamantylcarbonyl)-L-lysyl]-, methyl ester, L-
Alternate Name(s) Methyl 2-((2,6-bis[(1-adamantylcarbonyl)amino]hexanoyl)amino)-4-methylpentanoate 2-[2,6-bis(adamantane-1-carbonylamino)hexanoylamino]-4-methyl-valeric acid methyl ester 2-[[2,6-bis[[1-adamantyl(oxo)methyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid methyl ester Methyl 2-[2,6-bis(adamantane-1-carbonylamino)hexanoylamino]-4-methyl-pentanoate Methyl 2-[2,6-bis(adamantane-1-carbonylamino)hexanoylamino]-4-methylpentanoate
CAS Registry Number 28417-15-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H55N3O5
InChI InChI=1S/C35H55N3O5/c1-21(2)8-29(31(40)43-3)37-30(39)28(38-33(42)35-18-25-12-26(19-35)14-27(13-25)20-35)6-4-5-7-36-32(41)34-15-22-9-23(16-34)11-24(10-22)17-34/h21-29H,4-20H2,1-3H3,(H,36,41)(H,37,39)(H,38,42)/t22-,23+,24-,25-,26+,27-,28?,29?,34-,35-
InChIKey CXHYTOMFTVQWPA-KQXPFLMPSA-N
Molecular Weight 597.841 g/mol
SMILES N(CCCCC(C(=O)NC(C(OC)=O)CC(C)C)NC(=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-000i-9830100000-b8bf42572305e81673dd
Source of Spectrum O-3-798-7
Wiley ID 65207