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dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester

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dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester
SpectraBase Compound ID 1lPAAojZMPA
InChI InChI=1S/C25H44N2O5/c1-9-11-13-14-15-16-18-31-24(29)22(20(5)6)26(7)23(28)21(19(3)4)27(8)25(30)32-17-12-10-2/h2,19-22H,9,11-18H2,1,3-8H3
InChIKey LYILOXSDVVJYCH-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C25H44N2O5
Exact Mass 452.325023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqluAXepdYy
Name dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.325022520 u
Formula C25H44N2O5
InChI InChI=1S/C25H44N2O5/c1-9-11-13-14-15-16-18-31-24(29)22(20(5)6)26(7)23(28)21(19(3)4)27(8)25(30)32-17-12-10-2/h2,19-22H,9,11-18H2,1,3-8H3
InChIKey LYILOXSDVVJYCH-UHFFFAOYSA-N
Molecular Weight 452.636 g/mol
SMILES C(N(C(C(C)C)C(OCCCCCCCC)=O)C)(C(N(C(OCCC#C)=O)C)C(C)C)=O