![3-[[(E)-3-(4-benzoxyphenyl)acryloyl]amino]-N-[3-benzoyl-4-[(2-phenylacetyl)amino]phenyl]propionamide](/api/spectrum/FSc5MtdfW0i/structure.png?h=300&w=458 "3-[[(E)-3-(4-benzoxyphenyl)acryloyl]amino]-N-[3-benzoyl-4-[(2-phenylacetyl)amino]phenyl]propionamide")
| SpectraBase Compound ID | 8Pv3mc9JXeS |
|---|---|
| InChI | InChI=1S/C40H35N3O5/c44-37(23-18-29-16-20-34(21-17-29)48-28-31-12-6-2-7-13-31)41-25-24-38(45)42-33-19-22-36(43-39(46)26-30-10-4-1-5-11-30)35(27-33)40(47)32-14-8-3-9-15-32/h1-23,27H,24-26,28H2,(H,41,44)(H,42,45)(H,43,46)/b23-18+ |
| InChIKey | RTWHJFJKOLKBMY-PTGBLXJZSA-N |
| Mol Weight | 637.7 g/mol |
| Molecular Formula | C40H35N3O5 |
| Exact Mass | 637.257671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSc5MtdfW0i |
|---|---|
| Name | 3-[[(E)-3-(4-benzoxyphenyl)acryloyl]amino]-N-[3-benzoyl-4-[(2-phenylacetyl)amino]phenyl]propionamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 637.257671234 u |
| Formula | C40H35N3O5 |
| InChI | InChI=1S/C40H35N3O5/c44-37(23-18-29-16-20-34(21-17-29)48-28-31-12-6-2-7-13-31)41-25-24-38(45)42-33-19-22-36(43-39(46)26-30-10-4-1-5-11-30)35(27-33)40(47)32-14-8-3-9-15-32/h1-23,27H,24-26,28H2,(H,41,44)(H,42,45)(H,43,46)/b23-18+ |
| InChIKey | RTWHJFJKOLKBMY-PTGBLXJZSA-N |
| Molecular Weight | 637.736 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)OCC=1C=CC=CC1)(=O)NCCC(NC=1C=C(C(=CC1)NC(=O)CC=1C=CC=CC1)C(C=1C=CC=CC1)=O)=O |