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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-butoxycarbonyl-, pentyl ester
SpectraBase Compound ID FYtQ9BOtpFb
InChI InChI=1S/C22H41N3O6/c1-9-11-13-15-30-21(28)18(5)24(7)19(26)16(3)23(6)20(27)17(4)25(8)22(29)31-14-12-10-2/h16-18H,9-15H2,1-8H3
InChIKey UVVGBLLJGKTOCW-UHFFFAOYSA-N
Mol Weight 443.6 g/mol
Molecular Formula C22H41N3O6
Exact Mass 443.299536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJFUCmXAGic
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-butoxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 443.299536046 u
Formula C22H41N3O6
InChI InChI=1S/C22H41N3O6/c1-9-11-13-15-30-21(28)18(5)24(7)19(26)16(3)23(6)20(27)17(4)25(8)22(29)31-14-12-10-2/h16-18H,9-15H2,1-8H3
InChIKey UVVGBLLJGKTOCW-UHFFFAOYSA-N
Molecular Weight 443.585 g/mol
SMILES CCCCOC(N(C(C(N(C(C(N(C(C(OCCCCC)=O)C)C)=O)C)C)=O)C)C)=O