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

View entire compound with spectra: 1 NMR

L-Norleucyl-L-norleucine, N-isobutoxycarbonyl-, isohexyl ester
SpectraBase Compound ID IUPEQIdONNB
InChI InChI=1S/C23H44N2O5/c1-7-9-13-19(25-23(28)30-16-18(5)6)21(26)24-20(14-10-8-2)22(27)29-15-11-12-17(3)4/h17-20H,7-16H2,1-6H3,(H,24,26)(H,25,28)
InChIKey XLUMVVQVODFKPZ-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C23H44N2O5
Exact Mass 428.325023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nYpxyvofet
Name L-Norleucyl-L-norleucine, N-isobutoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.325022520 u
Formula C23H44N2O5
InChI InChI=1S/C23H44N2O5/c1-7-9-13-19(25-23(28)30-16-18(5)6)21(26)24-20(14-10-8-2)22(27)29-15-11-12-17(3)4/h17-20H,7-16H2,1-6H3,(H,24,26)(H,25,28)
InChIKey XLUMVVQVODFKPZ-UHFFFAOYSA-N
Molecular Weight 428.614 g/mol
SMILES C(NC(C(NC(OCC(C)C)=O)CCCC)=O)(C(OCCCC(C)C)=O)CCCC