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L-Glutamic acid, N-(N-acetyl-L-.alpha.-glutamyl)-, tributyl ester
SpectraBase Compound ID JcOPSSRw2nq
InChI InChI=1S/C24H42N2O8/c1-5-8-15-32-21(28)13-11-19(25-18(4)27)23(30)26-20(24(31)34-17-10-7-3)12-14-22(29)33-16-9-6-2/h19-20H,5-17H2,1-4H3,(H,25,27)(H,26,30)
InChIKey BXTYVAVXTBGHMB-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C24H42N2O8
Exact Mass 486.294116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJTfbA3Sj1U
Name L-Glutamic acid, N-(N-acetyl-L-.alpha.-glutamyl)-, tributyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.294116312 u
Formula C24H42N2O8
InChI InChI=1S/C24H42N2O8/c1-5-8-15-32-21(28)13-11-19(25-18(4)27)23(30)26-20(24(31)34-17-10-7-3)12-14-22(29)33-16-9-6-2/h19-20H,5-17H2,1-4H3,(H,25,27)(H,26,30)
InChIKey BXTYVAVXTBGHMB-UHFFFAOYSA-N
Molecular Weight 486.606 g/mol
SMILES C(CCC(OCCCC)=O)(C(OCCCC)=O)NC(=O)C(CCC(OCCCC)=O)NC(=O)C