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

View entire compound with spectra: 1 NMR

L-ala-L-nle, N-(Benzyloxycarbonyl)-, methyl ester
SpectraBase Compound ID 3Oyrl6InjhS
InChI InChI=1S/C18H26N2O5/c1-4-5-11-15(17(22)24-3)20-16(21)13(2)19-18(23)25-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKey XUBZAPUHUZGUGX-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C18H26N2O5
Exact Mass 350.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OLYKcK0cEi
Name L-ala-L-nle, N-(Benzyloxycarbonyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.184171940 u
Formula C18H26N2O5
InChI InChI=1S/C18H26N2O5/c1-4-5-11-15(17(22)24-3)20-16(21)13(2)19-18(23)25-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKey XUBZAPUHUZGUGX-UHFFFAOYSA-N
Molecular Weight 350.415 g/mol
SMILES C1(=CC=CC=C1)COC(NC(C(NC(CCCC)C(=O)OC)=O)C)=O