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N-carbamylglutamate, 4TMS
SpectraBase Compound ID KQH1omQLoMR
InChI InChI=1S/C18H42N2O5Si4/c1-26(2,3)19-18(23)20(27(4,5)6)15(17(22)25-29(10,11)12)13-14-16(21)24-28(7,8)9/h15H,13-14H2,1-12H3,(H,19,23)/t15-/m0/s1
InChIKey YORNIXSBHLCUHM-HNNXBMFYSA-N
Mol Weight 478.9 g/mol
Molecular Formula C18H42N2O5Si4
Exact Mass 478.217079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID quPsmAXrsw
Name N-carbamylglutamate, 4TMS
Comments Derivatization type: 4 TMS (mass: 478.217); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000772; Note: The molecular formula of the structure shown is C6H10N2O5 - which differs from the formula reported for the mass spectrum (C18H42N2O5Si4)
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Formula C18H42N2O5Si4
InChI InChI=1S/C18H42N2O5Si4/c1-26(2,3)19-18(23)20(27(4,5)6)15(17(22)25-29(10,11)12)13-14-16(21)24-28(7,8)9/h15H,13-14H2,1-12H3,(H,19,23)/t15-/m0/s1
InChIKey YORNIXSBHLCUHM-HNNXBMFYSA-N
Molecular Weight 478.883 g/mol
SMILES N(C(N([C@@](CCC(=O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[H])[Si](C)(C)C)=O)[Si](C)(C)C
SPLASH splash10-000i-9711000000-60f15bbb265b788ea08a
Source of Spectrum FM-2019-772-0
Synonyms Ureidoglutaric acid, 4TMS N-Carbamylglutamate, 4TMS Carbamylglutamic acid, 4TMS N-Carbamyl-L-glutamate, 4TMS Carbamino-L-glutamic acid, 4TMS L-N-Carbamoylglutamic acid, 4TMS (2S)-2-(carbamoylamino)pentanedioic acid, 4TMS bis(trimethylsilyl) N-(trimethylsilyl)-N-((trimethylsilyl)carbamoyl)-L-glutamate
Wiley ID 1818448