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3-[N-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]-propionic acid

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

3-[N-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]-propionic acid
SpectraBase Compound ID 2qIF2FMnI8k
InChI InChI=1S/C26H24N2O5/c1-17-7-9-18(10-8-17)15-24(30)28-22-12-11-20(27-23(29)13-14-25(31)32)16-21(22)26(33)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,27,29)(H,28,30)(H,31,32)
InChIKey OKHJPXHSOCAQPX-UHFFFAOYSA-N
Mol Weight 444.49 g/mol
Molecular Formula C26H24N2O5
Exact Mass 444.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wsy8vSbtLQ
Name 3-[N-[3-Benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]-propionic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.168521876 u
Formula C26H24N2O5
InChI InChI=1S/C26H24N2O5/c1-17-7-9-18(10-8-17)15-24(30)28-22-12-11-20(27-23(29)13-14-25(31)32)16-21(22)26(33)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,27,29)(H,28,30)(H,31,32)
InChIKey OKHJPXHSOCAQPX-UHFFFAOYSA-N
Molecular Weight 444.487 g/mol
SMILES C=1(C(=O)C=2C=CC=CC2)C(NC(=O)CC=2C=CC(C)=CC2)=CC=C(NC(=O)CCC(=O)O)C1