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L-Leucyl-L-leucine, N-propargyloxycarbonyl-, hexyl ester
SpectraBase Compound ID ET66EElguzF
InChI InChI=1S/C22H38N2O5/c1-7-9-10-11-13-28-21(26)19(15-17(5)6)23-20(25)18(14-16(3)4)24-22(27)29-12-8-2/h2,16-19H,7,9-15H2,1,3-6H3,(H,23,25)(H,24,27)
InChIKey UFPSEEMMRZVWED-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H38N2O5
Exact Mass 410.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CauaUyCA58x
Name L-Leucyl-L-leucine, N-propargyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.278072327 u
Formula C22H38N2O5
InChI InChI=1S/C22H38N2O5/c1-7-9-10-11-13-28-21(26)19(15-17(5)6)23-20(25)18(14-16(3)4)24-22(27)29-12-8-2/h2,16-19H,7,9-15H2,1,3-6H3,(H,23,25)(H,24,27)
InChIKey UFPSEEMMRZVWED-UHFFFAOYSA-N
Molecular Weight 410.555 g/mol
SMILES C#CCOC(NC(C(NC(C(OCCCCCC)=O)CC(C)C)=O)CC(C)C)=O