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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-allyloxycarbonyl-, pentyl ester
SpectraBase Compound ID IWcMekRzJw2
InChI InChI=1S/C21H37N3O6/c1-9-11-12-14-29-20(27)17(5)23(7)18(25)15(3)22(6)19(26)16(4)24(8)21(28)30-13-10-2/h10,15-17H,2,9,11-14H2,1,3-8H3
InChIKey QYOYMQRJWKGOTA-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C21H37N3O6
Exact Mass 427.268236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNzOaii9FvK
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-allyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.268235917 u
Formula C21H37N3O6
InChI InChI=1S/C21H37N3O6/c1-9-11-12-14-29-20(27)17(5)23(7)18(25)15(3)22(6)19(26)16(4)24(8)21(28)30-13-10-2/h10,15-17H,2,9,11-14H2,1,3-8H3
InChIKey QYOYMQRJWKGOTA-UHFFFAOYSA-N
Molecular Weight 427.542 g/mol
SMILES C=CCOC(N(C(C(N(C(C(N(C(C(OCCCCC)=O)C)C)=O)C)C)=O)C)C)=O