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L-Glutamic acid, N-(N-decanoyl-L-.alpha.-glutamyl)-, trimethyl ester
SpectraBase Compound ID 6rEjWnTtSC0
InChI InChI=1S/C23H40N2O8/c1-5-6-7-8-9-10-11-12-19(26)24-17(13-15-20(27)31-2)22(29)25-18(23(30)33-4)14-16-21(28)32-3/h17-18H,5-16H2,1-4H3,(H,24,26)(H,25,29)/t17-,18-/m0/s1
InChIKey MMQVYTMTBCWAGJ-ROUUACIJSA-N
Mol Weight 472.6 g/mol
Molecular Formula C23H40N2O8
Exact Mass 472.278466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwAycru1pVq
Name L-Glutamic acid, N-(N-decanoyl-L-.alpha.-glutamyl)-, trimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.278466248 u
Formula C23H40N2O8
InChI InChI=1S/C23H40N2O8/c1-5-6-7-8-9-10-11-12-19(26)24-17(13-15-20(27)31-2)22(29)25-18(23(30)33-4)14-16-21(28)32-3/h17-18H,5-16H2,1-4H3,(H,24,26)(H,25,29)/t17-,18-/m0/s1
InChIKey MMQVYTMTBCWAGJ-ROUUACIJSA-N
Molecular Weight 472.579 g/mol
SMILES C(N[C@](C(=O)OC)(CCC(=O)OC)[H])([C@@](NC(=O)CCCCCCCCC)(CCC(=O)OC)[H])=O