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Alanylalanine, N,N'-dimethyl-N-ethoxycarbonyl-, heptadecyl ester
SpectraBase Compound ID 395SVxJwgqG
InChI InChI=1S/C28H54N2O5/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-35-27(32)25(4)29(5)26(31)24(3)30(6)28(33)34-8-2/h24-25H,7-23H2,1-6H3
InChIKey QFERHCUOJUXYMV-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C28H54N2O5
Exact Mass 498.403273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Waxcb7jXjQ
Name Alanylalanine, N,N'-dimethyl-N-ethoxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.403272842 u
Formula C28H54N2O5
InChI InChI=1S/C28H54N2O5/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-35-27(32)25(4)29(5)26(31)24(3)30(6)28(33)34-8-2/h24-25H,7-23H2,1-6H3
InChIKey QFERHCUOJUXYMV-UHFFFAOYSA-N
Molecular Weight 498.749 g/mol
SMILES CCOC(N(C(C(N(C(C(OCCCCCCCCCCCCCCCCC)=O)C)C)=O)C)C)=O