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L-Leucyl-L-leucine, N-propargyloxycarbonyl-, butyl ester
SpectraBase Compound ID HFpJL3qESgg
InChI InChI=1S/C20H34N2O5/c1-7-9-11-26-19(24)17(13-15(5)6)21-18(23)16(12-14(3)4)22-20(25)27-10-8-2/h2,14-17H,7,9-13H2,1,3-6H3,(H,21,23)(H,22,25)
InChIKey CQVWYHNZVNTQTJ-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C20H34N2O5
Exact Mass 382.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82cwrKrMOom
Name L-Leucyl-L-leucine, N-propargyloxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.246772198 u
Formula C20H34N2O5
InChI InChI=1S/C20H34N2O5/c1-7-9-11-26-19(24)17(13-15(5)6)21-18(23)16(12-14(3)4)22-20(25)27-10-8-2/h2,14-17H,7,9-13H2,1,3-6H3,(H,21,23)(H,22,25)
InChIKey CQVWYHNZVNTQTJ-UHFFFAOYSA-N
Molecular Weight 382.501 g/mol
SMILES C#CCOC(NC(C(NC(C(OCCCC)=O)CC(C)C)=O)CC(C)C)=O