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Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, ethyl ester

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, ethyl ester
SpectraBase Compound ID 3j8IJpzakt8
InChI InChI=1S/C17H31N3O6/c1-9-25-16(23)13(5)19(7)14(21)11(3)18(6)15(22)12(4)20(8)17(24)26-10-2/h11-13H,9-10H2,1-8H3
InChIKey GQBWXSUIZCTZEU-UHFFFAOYSA-N
Mol Weight 373.45 g/mol
Molecular Formula C17H31N3O6
Exact Mass 373.221286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18CJ2kH1Rwf
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.221285724 u
Formula C17H31N3O6
InChI InChI=1S/C17H31N3O6/c1-9-25-16(23)13(5)19(7)14(21)11(3)18(6)15(22)12(4)20(8)17(24)26-10-2/h11-13H,9-10H2,1-8H3
InChIKey GQBWXSUIZCTZEU-UHFFFAOYSA-N
Molecular Weight 373.450 g/mol
SMILES CCOC(N(C(C(N(C(C(N(C(C)C(OCC)=O)C)=O)C)C)=O)C)C)=O