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N-acetyl-leucine, 3TMS
SpectraBase Compound ID DHzn28w8jE5
InChI InChI=1S/C17H40N2O3Si3/c1-15(20)19(24(5,6)7)14-12-11-13-16(18-23(2,3)4)17(21)22-25(8,9)10/h16,18H,11-14H2,1-10H3/t16-/m0/s1
InChIKey DANWMTPTUDRVJL-INIZCTEOSA-N
Mol Weight 404.8 g/mol
Molecular Formula C17H40N2O3Si3
Exact Mass 404.234673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhfkDNGZALt
Name N-acetyl-leucine, 3TMS
Comments Derivatization type: 3 TMS (mass: 404.235); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000009; Note: The molecular formula of the structure shown is C8H16N2O3 - which differs from the formula reported for the mass spectrum (C17H40N2O3Si3)
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Formula C17H40N2O3Si3
InChI InChI=1S/C17H40N2O3Si3/c1-15(20)19(24(5,6)7)14-12-11-13-16(18-23(2,3)4)17(21)22-25(8,9)10/h16,18H,11-14H2,1-10H3/t16-/m0/s1
InChIKey DANWMTPTUDRVJL-INIZCTEOSA-N
Molecular Weight 404.773 g/mol
SMILES N([C@@](CCCCN(C(C)=O)[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[H])[Si](C)(C)C
SPLASH splash10-0002-9500000000-266c8b0fce84c71553b2
Source of Spectrum FM-2019-9-0
Synonyms N6-Acetyl-L-lysine, 3TMS N-Epsilon-acetyllysine, 3TMS N(zeta)-acetyllysine, 3TMS N(6)-Acetyl-L-lysine, 3TMS N-epsilon-Acetyl-L-lysine, 3TMS (2S)-6-acetamido-2-aminohexanoic acid, 3TMS Trimethylsilyl N6-acetyl-N2,N6-bis(trimethylsilyl)-L-lysinate
Wiley ID 1817711