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D-Norleucyl-D-norleucine, N-butoxycarbonyl-, butyl ester

View entire compound with spectra: 1 NMR

D-Norleucyl-D-norleucine, N-butoxycarbonyl-, butyl ester
SpectraBase Compound ID DRy9Cxa4lO9
InChI InChI=1S/C21H40N2O5/c1-5-9-13-17(23-21(26)28-16-12-8-4)19(24)22-18(14-10-6-2)20(25)27-15-11-7-3/h17-18H,5-16H2,1-4H3,(H,22,24)(H,23,26)
InChIKey YONJARNGZZGMFX-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C21H40N2O5
Exact Mass 400.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJsdb81LXgS
Name D-Norleucyl-D-norleucine, N-butoxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-5-9-13-17(23-21(26)28-16-12-8-4)19(24)22-18(14-10-6-2)20(25)27-15-11-7-3/h17-18H,5-16H2,1-4H3,(H,22,24)(H,23,26)
InChIKey YONJARNGZZGMFX-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CCCCOC(C(NC(C(NC(OCCCC)=O)CCCC)=O)CCCC)=O