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N-carbamylglutamate, 3TMS
SpectraBase Compound ID 1c18ZQwlGnY
InChI InChI=1S/C15H34N2O5Si3/c1-23(2,3)17-15(20)16-12(14(19)22-25(7,8)9)10-11-13(18)21-24(4,5)6/h12H,10-11H2,1-9H3,(H2,16,17,20)/t12-/m0/s1
InChIKey VHAPROTUBUNHKO-LBPRGKRZSA-N
Mol Weight 406.7 g/mol
Molecular Formula C15H34N2O5Si3
Exact Mass 406.177552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CS7LZG3IDE
Name N-carbamylglutamate, 3TMS
Comments Derivatization type: 3 TMS (mass: 406.178); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000773; Note: The molecular formula of the structure shown is C6H10N2O5 - which differs from the formula reported for the mass spectrum (C15H34N2O5Si3)
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Formula C15H34N2O5Si3
InChI InChI=1S/C15H34N2O5Si3/c1-23(2,3)17-15(20)16-12(14(19)22-25(7,8)9)10-11-13(18)21-24(4,5)6/h12H,10-11H2,1-9H3,(H2,16,17,20)/t12-/m0/s1
InChIKey VHAPROTUBUNHKO-LBPRGKRZSA-N
Molecular Weight 406.701 g/mol
SMILES N([C@@](CCC(=O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)[H])C(N[Si](C)(C)C)=O
SPLASH splash10-0fk9-0900000000-5d552fa6b00d42d5e114
Source of Spectrum FM-2019-773-0
Synonyms Ureidoglutaric acid, 3TMS N-Carbamylglutamate, 3TMS Carbamylglutamic acid, 3TMS N-Carbamyl-L-glutamate, 3TMS Carbamino-L-glutamic acid, 3TMS L-N-Carbamoylglutamic acid, 3TMS (2S)-2-(carbamoylamino)pentanedioic acid, 3TMS bis(trimethylsilyl) ((trimethylsilyl)carbamoyl)-L-glutamate
Wiley ID 1818449