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L-Leucyl-L-isoleucine, N-butoxycarbonyl-, butyl ester

View entire compound with spectra: 1 NMR

L-Leucyl-L-isoleucine, N-butoxycarbonyl-, butyl ester
SpectraBase Compound ID JeX43Wh7PZt
InChI InChI=1S/C21H40N2O5/c1-7-10-12-27-20(25)18(16(6)9-3)23-19(24)17(14-15(4)5)22-21(26)28-13-11-8-2/h15-18H,7-14H2,1-6H3,(H,22,26)(H,23,24)
InChIKey DWDKBWLOQJSKPD-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 5OA7agDx2h5
Name L-Leucyl-L-isoleucine, N-butoxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-7-10-12-27-20(25)18(16(6)9-3)23-19(24)17(14-15(4)5)22-21(26)28-13-11-8-2/h15-18H,7-14H2,1-6H3,(H,22,26)(H,23,24)
InChIKey DWDKBWLOQJSKPD-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES C(C(NC(C(NC(OCCCC)=O)CC(C)C)=O)C(OCCCC)=O)(CC)C