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gly-L-nle, N-(Benzyloxycarbonyl)-, methyl ester

View entire compound with spectra: 1 NMR

gly-L-nle, N-(Benzyloxycarbonyl)-, methyl ester
SpectraBase Compound ID ADRmh25aFHh
InChI InChI=1S/C17H24N2O5/c1-3-4-10-14(16(21)23-2)19-15(20)11-18-17(22)24-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,18,22)(H,19,20)
InChIKey DCCBHUWFNPQEQG-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C17H24N2O5
Exact Mass 336.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IV8KhARedN1
Name gly-L-nle, N-(Benzyloxycarbonyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.168521876 u
Formula C17H24N2O5
InChI InChI=1S/C17H24N2O5/c1-3-4-10-14(16(21)23-2)19-15(20)11-18-17(22)24-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,18,22)(H,19,20)
InChIKey DCCBHUWFNPQEQG-UHFFFAOYSA-N
Molecular Weight 336.388 g/mol
SMILES C1(=CC=CC=C1)COC(NCC(NC(CCCC)C(=O)OC)=O)=O