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[o-Benzyl-N-[4-nitrobenzyl]]glutamylglycine, ethyl ester

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[o-Benzyl-N-[4-nitrobenzyl]]glutamylglycine, ethyl ester
SpectraBase Compound ID 6fhUFOkDMin
InChI InChI=1S/C23H27N3O7/c1-2-32-22(28)15-25-23(29)20(24-14-17-8-10-19(11-9-17)26(30)31)12-13-21(27)33-16-18-6-4-3-5-7-18/h3-11,20,24H,2,12-16H2,1H3,(H,25,29)
InChIKey MKYARJVSVPILKK-UHFFFAOYSA-N
Mol Weight 457.48 g/mol
Molecular Formula C23H27N3O7
Exact Mass 457.1849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14KCJ0KSsIe
Name [o-Benzyl-N-[4-nitrobenzyl]]glutamylglycine, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.184900214 u
Formula C23H27N3O7
InChI InChI=1S/C23H27N3O7/c1-2-32-22(28)15-25-23(29)20(24-14-17-8-10-19(11-9-17)26(30)31)12-13-21(27)33-16-18-6-4-3-5-7-18/h3-11,20,24H,2,12-16H2,1H3,(H,25,29)
InChIKey MKYARJVSVPILKK-UHFFFAOYSA-N
Molecular Weight 457.483 g/mol
SMILES C1=C(C=CC=C1)COC(CCC(C(NCC(OCC)=O)=O)NCC1=CC=C(C=C1)N(=O)=O)=O