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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, isohexyl ester
SpectraBase Compound ID GRv43msXdrg
InChI InChI=1S/C21H39N3O6/c1-10-29-21(28)24(9)16(5)19(26)22(7)15(4)18(25)23(8)17(6)20(27)30-13-11-12-14(2)3/h14-17H,10-13H2,1-9H3
InChIKey LOHCKJXXAWKEAQ-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C21H39N3O6
Exact Mass 429.283886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GV7KGPeJQP
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.283885982 u
Formula C21H39N3O6
InChI InChI=1S/C21H39N3O6/c1-10-29-21(28)24(9)16(5)19(26)22(7)15(4)18(25)23(8)17(6)20(27)30-13-11-12-14(2)3/h14-17H,10-13H2,1-9H3
InChIKey LOHCKJXXAWKEAQ-UHFFFAOYSA-N
Molecular Weight 429.558 g/mol
SMILES CCOC(N(C(C(N(C(C)C(N(C)C(C(OCCCC(C)C)=O)C)=O)C)=O)C)C)=O