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Alanylalanylalanine, N,N',N''-trimethyl-N''-allyloxycarbonyl-, isobutyl ester

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-allyloxycarbonyl-, isobutyl ester
SpectraBase Compound ID GqvVCguGmsa
InChI InChI=1S/C20H35N3O6/c1-10-11-28-20(27)23(9)15(5)18(25)21(7)14(4)17(24)22(8)16(6)19(26)29-12-13(2)3/h10,13-16H,1,11-12H2,2-9H3
InChIKey LWTSMLJKLXWVFC-UHFFFAOYSA-N
Mol Weight 413.5 g/mol
Molecular Formula C20H35N3O6
Exact Mass 413.252586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqcDdudeylI
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-allyloxycarbonyl-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.252585853 u
Formula C20H35N3O6
InChI InChI=1S/C20H35N3O6/c1-10-11-28-20(27)23(9)15(5)18(25)21(7)14(4)17(24)22(8)16(6)19(26)29-12-13(2)3/h10,13-16H,1,11-12H2,2-9H3
InChIKey LWTSMLJKLXWVFC-UHFFFAOYSA-N
Molecular Weight 413.515 g/mol
SMILES C=CCOC(N(C(C(N(C(C(N(C(C)C(OCC(C)C)=O)C)=O)C)C)=O)C)C)=O