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N-(N2-carboxy-L-asparaginyl)-L-3-phenylalanine, N2-benzyl methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

N-(N2-carboxy-L-asparaginyl)-L-3-phenylalanine, N2-benzyl methyl ester
SpectraBase Compound ID 8IA9n4Mvy0j
InChI InChI=1S/C22H25N3O6/c1-30-21(28)18(12-15-8-4-2-5-9-15)24-20(27)17(13-19(23)26)25-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H2,23,26)(H,24,27)(H,25,29)/t17-,18-/m0/s1
InChIKey XHINWMJGDYTIFM-ROUUACIJSA-N
Mol Weight 427.46 g/mol
Molecular Formula C22H25N3O6
Exact Mass 427.174336 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Csw8YWads8
Name N-(N2-CARBOXY-L-ASPARAGINYL)-L-3-PHENYLALANINE, N2-BENZYL METHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O6
InChI InChI=1S/C22H25N3O6/c1-30-21(28)18(12-15-8-4-2-5-9-15)24-20(27)17(13-19(23)26)25-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H2,23,26)(H,24,27)(H,25,29)/t17-,18-/m0/s1
InChIKey XHINWMJGDYTIFM-ROUUACIJSA-N
Instrument Name BRUKER AC-300
Molecular Weight 427.46
Solvent Polysol; Reference=TMS; Temperature 297K