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L-Norvalyl-L-norvaline, N-neopentyloxycarbonyl-, pentyl ester
SpectraBase Compound ID 5wzZ3Mcak
InChI InChI=1S/C21H40N2O5/c1-7-10-11-14-27-19(25)17(13-9-3)22-18(24)16(12-8-2)23-20(26)28-15-21(4,5)6/h16-17H,7-15H2,1-6H3,(H,22,24)(H,23,26)
InChIKey PTQZAFNJOVNUQM-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 DgJZdMhYn9n
Name L-Norvalyl-L-norvaline, N-neopentyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-7-10-11-14-27-19(25)17(13-9-3)22-18(24)16(12-8-2)23-20(26)28-15-21(4,5)6/h16-17H,7-15H2,1-6H3,(H,22,24)(H,23,26)
InChIKey PTQZAFNJOVNUQM-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CC(COC(NC(C(NC(C(OCCCCC)=O)CCC)=O)CCC)=O)(C)C