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L-Norleucyl-L-norleucine, N-propargyloxycarbonyl-, pentyl ester
SpectraBase Compound ID BOIUt7K2kdQ
InChI InChI=1S/C21H36N2O5/c1-5-9-12-16-27-20(25)18(14-11-7-3)22-19(24)17(13-10-6-2)23-21(26)28-15-8-4/h4,17-18H,5-7,9-16H2,1-3H3,(H,22,24)(H,23,26)
InChIKey PMKPYWUBPKKZGI-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H36N2O5
Exact Mass 396.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Evz9YGoXaa
Name L-Norleucyl-L-norleucine, N-propargyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.262422262 u
Formula C21H36N2O5
InChI InChI=1S/C21H36N2O5/c1-5-9-12-16-27-20(25)18(14-11-7-3)22-19(24)17(13-10-6-2)23-21(26)28-15-8-4/h4,17-18H,5-7,9-16H2,1-3H3,(H,22,24)(H,23,26)
InChIKey PMKPYWUBPKKZGI-UHFFFAOYSA-N
Molecular Weight 396.528 g/mol
SMILES C(C(NC(OCC#C)=O)CCCC)(NC(C(OCCCCC)=O)CCCC)=O