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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, pentyl ester
SpectraBase Compound ID Fb0bVI4JrwK
InChI InChI=1S/C20H37N3O6/c1-9-11-12-13-29-19(26)16(5)22(7)17(24)14(3)21(6)18(25)15(4)23(8)20(27)28-10-2/h14-16H,9-13H2,1-8H3
InChIKey YNPLKHZGBMNOEK-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 84gkKOwFC0Q
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 415.268235917 u
Formula C20H37N3O6
InChI InChI=1S/C20H37N3O6/c1-9-11-12-13-29-19(26)16(5)22(7)17(24)14(3)21(6)18(25)15(4)23(8)20(27)28-10-2/h14-16H,9-13H2,1-8H3
InChIKey YNPLKHZGBMNOEK-UHFFFAOYSA-N
Molecular Weight 415.531 g/mol
SMILES CCOC(N(C(C(N(C(C)C(N(C(C)C(OCCCCC)=O)C)=O)C)=O)C)C)=O