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L-Norleucyl-L-norleucine, N-ethoxycarbonyl-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Norleucyl-L-norleucine, N-ethoxycarbonyl-, isohexyl ester
SpectraBase Compound ID 6sy4eS5V2KR
InChI InChI=1S/C21H40N2O5/c1-6-9-13-17(23-21(26)27-8-3)19(24)22-18(14-10-7-2)20(25)28-15-11-12-16(4)5/h16-18H,6-15H2,1-5H3,(H,22,24)(H,23,26)
InChIKey IMQPAAFCOXTGSL-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 IOQVmd8SPWn
Name L-Norleucyl-L-norleucine, N-ethoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-6-9-13-17(23-21(26)27-8-3)19(24)22-18(14-10-7-2)20(25)28-15-11-12-16(4)5/h16-18H,6-15H2,1-5H3,(H,22,24)(H,23,26)
InChIKey IMQPAAFCOXTGSL-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES C(NC(OCC)=O)(CCCC)C(NC(C(OCCCC(C)C)=O)CCCC)=O