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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-butoxycarbonyl-, propyl ester
SpectraBase Compound ID 5hhDoH5yq5o
InChI InChI=1S/C20H37N3O6/c1-9-11-13-29-20(27)23(8)15(4)18(25)21(6)14(3)17(24)22(7)16(5)19(26)28-12-10-2/h14-16H,9-13H2,1-8H3
InChIKey WVWQYXCYGALHGV-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C20H37N3O6
Exact Mass 415.268236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LfL2OtXFU3x
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-butoxycarbonyl-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 415.268235917 u
Formula C20H37N3O6
InChI InChI=1S/C20H37N3O6/c1-9-11-13-29-20(27)23(8)15(4)18(25)21(6)14(3)17(24)22(7)16(5)19(26)28-12-10-2/h14-16H,9-13H2,1-8H3
InChIKey WVWQYXCYGALHGV-UHFFFAOYSA-N
Molecular Weight 415.531 g/mol
SMILES CCCCOC(N(C(C(N(C(C)C(N(C)C(C)C(OCCC)=O)=O)C)=O)C)C)=O