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Alanylalanylalanine, N,N',N''-trimethyl-N''-butoxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-butoxycarbonyl-, hexyl ester
SpectraBase Compound ID GPcYpTFqK83
InChI InChI=1S/C23H43N3O6/c1-9-11-13-14-16-31-22(29)19(5)25(7)20(27)17(3)24(6)21(28)18(4)26(8)23(30)32-15-12-10-2/h17-19H,9-16H2,1-8H3
InChIKey WLCUBAGYLDFQLH-UHFFFAOYSA-N
Mol Weight 457.6 g/mol
Molecular Formula C23H43N3O6
Exact Mass 457.315186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PuhXVxiTzs
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-butoxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 457.315186111 u
Formula C23H43N3O6
InChI InChI=1S/C23H43N3O6/c1-9-11-13-14-16-31-22(29)19(5)25(7)20(27)17(3)24(6)21(28)18(4)26(8)23(30)32-15-12-10-2/h17-19H,9-16H2,1-8H3
InChIKey WLCUBAGYLDFQLH-UHFFFAOYSA-N
Molecular Weight 457.612 g/mol
SMILES CCCCOC(N(C(C(N(C(C(N(C(C(OCCCCCC)=O)C)C)=O)C)C)=O)C)C)=O