| SpectraBase Compound ID | 7lLWmIPSulb |
|---|---|
| InChI | InChI=1S/C22H25N3O6/c1-2-30-19(27)14-23-18(26)13-24-21(28)20(17-11-7-4-8-12-17)25-22(29)31-15-16-9-5-3-6-10-16/h3-12,20H,2,13-15H2,1H3,(H,23,26)(H,24,28)(H,25,29) |
| InChIKey | NQJIQAUHDUERFL-UHFFFAOYSA-N |
| Mol Weight | 427.46 g/mol |
| Molecular Formula | C22H25N3O6 |
| Exact Mass | 427.174336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAKdkcMGr7x |
|---|---|
| Name | Ethyl-N-(benzyloxycarbonyl)-phenylglycylglycylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 427.174335531 u |
| Formula | C22H25N3O6 |
| InChI | InChI=1S/C22H25N3O6/c1-2-30-19(27)14-23-18(26)13-24-21(28)20(17-11-7-4-8-12-17)25-22(29)31-15-16-9-5-3-6-10-16/h3-12,20H,2,13-15H2,1H3,(H,23,26)(H,24,28)(H,25,29) |
| InChIKey | NQJIQAUHDUERFL-UHFFFAOYSA-N |
| Molecular Weight | 427.457 g/mol |
| SMILES | C(NC(C(NCC(NCC(=O)OCC)=O)=O)C=1C=CC=CC1)(=O)OCC=1C=CC=CC1 |