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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarbonyl-, hexyl ester
SpectraBase Compound ID 4PfCTNbGDpd
InChI InChI=1S/C22H37N3O6/c1-9-11-12-13-15-30-21(28)18(5)24(7)19(26)16(3)23(6)20(27)17(4)25(8)22(29)31-14-10-2/h2,16-18H,9,11-15H2,1,3-8H3
InChIKey YGVPLUGQPYOYDL-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 Hdb0TweK6Rl
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarbonyl-, hexyl 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/c1-9-11-12-13-15-30-21(28)18(5)24(7)19(26)16(3)23(6)20(27)17(4)25(8)22(29)31-14-10-2/h2,16-18H,9,11-15H2,1,3-8H3
InChIKey YGVPLUGQPYOYDL-UHFFFAOYSA-N
Molecular Weight 439.553 g/mol
SMILES C#CCOC(N(C(C(N(C(C(N(C(C(OCCCCCC)=O)C)C)=O)C)C)=O)C)C)=O