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

View entire compound with spectra: 1 NMR

D-Norleucyl-D-norleucine, N-butoxycarbonyl-, isohexyl ester
SpectraBase Compound ID HeJtQ9VoFD7
InChI InChI=1S/C23H44N2O5/c1-6-9-14-19(25-23(28)30-16-11-8-3)21(26)24-20(15-10-7-2)22(27)29-17-12-13-18(4)5/h18-20H,6-17H2,1-5H3,(H,24,26)(H,25,28)
InChIKey AOKBFUWNGVJQFN-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 Hkg5a3e4Etr
Name D-Norleucyl-D-norleucine, N-butoxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.325022520 u
Formula C23H44N2O5
InChI InChI=1S/C23H44N2O5/c1-6-9-14-19(25-23(28)30-16-11-8-3)21(26)24-20(15-10-7-2)22(27)29-17-12-13-18(4)5/h18-20H,6-17H2,1-5H3,(H,24,26)(H,25,28)
InChIKey AOKBFUWNGVJQFN-UHFFFAOYSA-N
Molecular Weight 428.614 g/mol
SMILES CC(C)CCCOC(C(NC(C(NC(OCCCC)=O)CCCC)=O)CCCC)=O