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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID 7V1NrotGNnM
InChI InChI=1S/C22H37N3O6/c1-10-13-31-22(29)25(9)17(5)20(27)23(7)16(4)19(26)24(8)18(6)21(28)30-14-11-12-15(2)3/h1,15-18H,11-14H2,2-9H3
InChIKey JQNSPYBWYHJJMD-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C22H37N3O6
Exact Mass 439.268236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEsDPwaNvLg
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.268235917 u
Formula C22H37N3O6
InChI InChI=1S/C22H37N3O6/c1-10-13-31-22(29)25(9)17(5)20(27)23(7)16(4)19(26)24(8)18(6)21(28)30-14-11-12-15(2)3/h1,15-18H,11-14H2,2-9H3
InChIKey JQNSPYBWYHJJMD-UHFFFAOYSA-N
Molecular Weight 439.553 g/mol
SMILES C#CCOC(N(C(C(N(C(C(N(C(C(OCCCC(C)C)=O)C)C)=O)C)C)=O)C)C)=O