| SpectraBase Compound ID | 4mIWrwKifRH |
|---|---|
| InChI | InChI=1S/C23H25N3O5/c1-2-30-21(27)14-25-22(28)20(12-17-13-24-19-11-7-6-10-18(17)19)26-23(29)31-15-16-8-4-3-5-9-16/h3-11,13,20,24H,2,12,14-15H2,1H3,(H,25,28)(H,26,29) |
| InChIKey | ATGRSTQNQQGELS-UHFFFAOYSA-N |
| Mol Weight | 423.47 g/mol |
| Molecular Formula | C23H25N3O5 |
| Exact Mass | 423.179421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOb3ag7i2m2 |
|---|---|
| Name | N-cbz-Tryptophanyl-glycine ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 423.179420912 u |
| Formula | C23H25N3O5 |
| InChI | InChI=1S/C23H25N3O5/c1-2-30-21(27)14-25-22(28)20(12-17-13-24-19-11-7-6-10-18(17)19)26-23(29)31-15-16-8-4-3-5-9-16/h3-11,13,20,24H,2,12,14-15H2,1H3,(H,25,28)(H,26,29) |
| InChIKey | ATGRSTQNQQGELS-UHFFFAOYSA-N |
| Molecular Weight | 423.469 g/mol |
| SMILES | C1=C(C=CC=C1)COC(NC(CC=1C2=C(NC1)C=CC=C2)C(NCC(OCC)=O)=O)=O |