![L-N-[N-(4-hydroxy-3-methoxycinnamoyl)glycyl]-3-phenylalanine](/api/spectrum/5cqZvXL2sT/structure.png?h=300&w=458 "L-N-[N-(4-hydroxy-3-methoxycinnamoyl)glycyl]-3-phenylalanine")
| SpectraBase Compound ID | 8S93oMAtYdx |
|---|---|
| InChI | InChI=1S/C21H22N2O6/c1-29-18-12-15(7-9-17(18)24)8-10-19(25)22-13-20(26)23-16(21(27)28)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,22,25)(H,23,26)(H,27,28) |
| InChIKey | RMZPPYWIJILVLC-UHFFFAOYSA-N |
| Mol Weight | 398.42 g/mol |
| Molecular Formula | C21H22N2O6 |
| Exact Mass | 398.147786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cqZvXL2sT |
|---|---|
| Name | L-N-[N-(4-Hydroxy-3-methoxycinnamoyl)glycyl]-3-phenylalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.147786430 u |
| Formula | C21H22N2O6 |
| InChI | InChI=1S/C21H22N2O6/c1-29-18-12-15(7-9-17(18)24)8-10-19(25)22-13-20(26)23-16(21(27)28)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,22,25)(H,23,26)(H,27,28) |
| InChIKey | RMZPPYWIJILVLC-UHFFFAOYSA-N |
| Molecular Weight | 398.415 g/mol |
| SMILES | OC1=CC=C(C=CC(NCC(NC(C(O)=O)CC=2C=CC=CC2)=O)=O)C=C1OC |