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Alanylalanine, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentyl ester

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Alanylalanine, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentyl ester
SpectraBase Compound ID 4Kn4a5JO2k5
InChI InChI=1S/C18H34N2O5/c1-8-9-10-11-24-17(22)15(5)19(6)16(21)14(4)20(7)18(23)25-12-13(2)3/h13-15H,8-12H2,1-7H3
InChIKey SZAJLRCEMSOCCT-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C18H34N2O5
Exact Mass 358.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpErNWn8xat
Name Alanylalanine, N,N'-dimethyl-N'-isobutoxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 358.246772198 u
Formula C18H34N2O5
InChI InChI=1S/C18H34N2O5/c1-8-9-10-11-24-17(22)15(5)19(6)16(21)14(4)20(7)18(23)25-12-13(2)3/h13-15H,8-12H2,1-7H3
InChIKey SZAJLRCEMSOCCT-UHFFFAOYSA-N
Molecular Weight 358.479 g/mol
SMILES C(OC(N(C(C(N(C(C(OCCCCC)=O)C)C)=O)C)C)=O)C(C)C