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

View entire compound with spectra: 1 NMR

L-Norleucyl-L-norleucine, N-propoxycarbonyl-, isohexyl ester
SpectraBase Compound ID 5csMyTLrXS0
InChI InChI=1S/C22H42N2O5/c1-6-9-13-18(24-22(27)29-15-8-3)20(25)23-19(14-10-7-2)21(26)28-16-11-12-17(4)5/h17-19H,6-16H2,1-5H3,(H,23,25)(H,24,27)
InChIKey PILBADUJZLVWHB-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C22H42N2O5
Exact Mass 414.309372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27zOrAPwNog
Name L-Norleucyl-L-norleucine, N-propoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.309372455 u
Formula C22H42N2O5
InChI InChI=1S/C22H42N2O5/c1-6-9-13-18(24-22(27)29-15-8-3)20(25)23-19(14-10-7-2)21(26)28-16-11-12-17(4)5/h17-19H,6-16H2,1-5H3,(H,23,25)(H,24,27)
InChIKey PILBADUJZLVWHB-UHFFFAOYSA-N
Molecular Weight 414.587 g/mol
SMILES C(NC(C(NC(OCCC)=O)CCCC)=O)(C(OCCCC(C)C)=O)CCCC