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Benzyloxycarbonyl-serinyl-phenylalanine, methyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Benzyloxycarbonyl-serinyl-phenylalanine, methyl ester
SpectraBase Compound ID x87SxkaJL3
InChI InChI=1S/C21H24N2O6/c1-28-20(26)17(12-15-8-4-2-5-9-15)22-19(25)18(13-24)23-21(27)29-14-16-10-6-3-7-11-16/h2-11,17-18,24H,12-14H2,1H3,(H,22,25)(H,23,27)
InChIKey VTWVQIIQSVGKKO-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C21H24N2O6
Exact Mass 400.163436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4G6VjZUDxpm
Name Benzyloxycarbonyl-serinyl-phenylalanine, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.163436495 u
Formula C21H24N2O6
InChI InChI=1S/C21H24N2O6/c1-28-20(26)17(12-15-8-4-2-5-9-15)22-19(25)18(13-24)23-21(27)29-14-16-10-6-3-7-11-16/h2-11,17-18,24H,12-14H2,1H3,(H,22,25)(H,23,27)
InChIKey VTWVQIIQSVGKKO-UHFFFAOYSA-N
Molecular Weight 400.431 g/mol
SMILES COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(OCC1=CC=CC=C1)=O