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Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarbonyl-, butyl ester

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarbonyl-, butyl ester
SpectraBase Compound ID Fs6xo1AmQof
InChI InChI=1S/C20H33N3O6/c1-9-11-13-28-19(26)16(5)22(7)17(24)14(3)21(6)18(25)15(4)23(8)20(27)29-12-10-2/h2,14-16H,9,11-13H2,1,3-8H3
InChIKey QHJBVJAIUQJCAP-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C20H33N3O6
Exact Mass 411.236936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYulO4vYgnC
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.236935789 u
Formula C20H33N3O6
InChI InChI=1S/C20H33N3O6/c1-9-11-13-28-19(26)16(5)22(7)17(24)14(3)21(6)18(25)15(4)23(8)20(27)29-12-10-2/h2,14-16H,9,11-13H2,1,3-8H3
InChIKey QHJBVJAIUQJCAP-UHFFFAOYSA-N
Molecular Weight 411.499 g/mol
SMILES C#CCOC(N(C)C(C(N(C(C)C(N(C)C(C)C(OCCCC)=O)=O)C)=O)C)=O