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Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 4sqndz0ZTR0
InChI InChI=1S/C29H56N2O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-27(33)25(3)30(7)26(32)24(2)31(8)28(34)36-23-29(4,5)6/h24-25H,9-23H2,1-8H3
InChIKey JVNTZCUGHIKDLT-UHFFFAOYSA-N
Mol Weight 512.8 g/mol
Molecular Formula C29H56N2O5
Exact Mass 512.418923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5K8pzTsSbt5
Name Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 512.418922906 u
Formula C29H56N2O5
InChI InChI=1S/C29H56N2O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-27(33)25(3)30(7)26(32)24(2)31(8)28(34)36-23-29(4,5)6/h24-25H,9-23H2,1-8H3
InChIKey JVNTZCUGHIKDLT-UHFFFAOYSA-N
Molecular Weight 512.776 g/mol
SMILES CC(COC(N(C(C(N(C(C(OCCCCCCCCCCCCCCC)=O)C)C)=O)C)C)=O)(C)C