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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-,N''-butoxycarbonyl-, isohexyl ester
SpectraBase Compound ID HqqGnNfn4S5
InChI InChI=1S/C23H43N3O6/c1-10-11-14-32-23(30)26(9)18(5)21(28)24(7)17(4)20(27)25(8)19(6)22(29)31-15-12-13-16(2)3/h16-19H,10-15H2,1-9H3
InChIKey JJSAPADUFLAUAM-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 2Uxpn3AL5Bd
Name Alanylalanylalanine, N,N',N''-trimethyl-,N''-butoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 457.315186111 u
Formula C23H43N3O6
InChI InChI=1S/C23H43N3O6/c1-10-11-14-32-23(30)26(9)18(5)21(28)24(7)17(4)20(27)25(8)19(6)22(29)31-15-12-13-16(2)3/h16-19H,10-15H2,1-9H3
InChIKey JJSAPADUFLAUAM-UHFFFAOYSA-N
Molecular Weight 457.612 g/mol
SMILES CCCCOC(N(C(C(N(C(C(N(C(C(OCCCC(C)C)=O)C)C)=O)C)C)=O)C)C)=O