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

View entire compound with spectra: 1 NMR

Alanylalanine, N,N'-dimethyl-N'-benzyloxycarbonyl-, pentyl ester
SpectraBase Compound ID 8mRqYcb7kAM
InChI InChI=1S/C21H32N2O5/c1-6-7-11-14-27-20(25)17(3)22(4)19(24)16(2)23(5)21(26)28-15-18-12-9-8-10-13-18/h8-10,12-13,16-17H,6-7,11,14-15H2,1-5H3
InChIKey AXKLOYPSKLURLV-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C21H32N2O5
Exact Mass 392.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10lU6HIWMi5
Name Alanylalanine, N,N'-dimethyl-N'-benzyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.231122133 u
Formula C21H32N2O5
InChI InChI=1S/C21H32N2O5/c1-6-7-11-14-27-20(25)17(3)22(4)19(24)16(2)23(5)21(26)28-15-18-12-9-8-10-13-18/h8-10,12-13,16-17H,6-7,11,14-15H2,1-5H3
InChIKey AXKLOYPSKLURLV-UHFFFAOYSA-N
Molecular Weight 392.496 g/mol
SMILES C1=CC=CC(=C1)COC(N(C)C(C(N(C(C)C(OCCCCC)=O)C)=O)C)=O