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L-Leucyl-L-leucine, N-propargyloxycarbonyl-, isobutyl ester

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-propargyloxycarbonyl-, isobutyl ester
SpectraBase Compound ID 1ueWUsNRCdK
InChI InChI=1S/C20H34N2O5/c1-8-9-26-20(25)22-16(10-13(2)3)18(23)21-17(11-14(4)5)19(24)27-12-15(6)7/h1,13-17H,9-12H2,2-7H3,(H,21,23)(H,22,25)
InChIKey YEGIGUKSVHYDOK-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 J8HeLT1n6ML
Name L-Leucyl-L-leucine, N-propargyloxycarbonyl-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.246772198 u
Formula C20H34N2O5
InChI InChI=1S/C20H34N2O5/c1-8-9-26-20(25)22-16(10-13(2)3)18(23)21-17(11-14(4)5)19(24)27-12-15(6)7/h1,13-17H,9-12H2,2-7H3,(H,21,23)(H,22,25)
InChIKey YEGIGUKSVHYDOK-UHFFFAOYSA-N
Molecular Weight 382.501 g/mol
SMILES C#CCOC(NC(C(NC(C(OCC(C)C)=O)CC(C)C)=O)CC(C)C)=O