| SpectraBase Compound ID | FdZ0LylAct6 |
|---|---|
| InChI | InChI=1S/C18H25N3O6/c1-3-14(21-18(25)27-12-13-8-6-5-7-9-13)17(24)20-10-15(22)19-11-16(23)26-4-2/h5-9,14H,3-4,10-12H2,1-2H3,(H,19,22)(H,20,24)(H,21,25)/t14-/m0/s1 |
| InChIKey | JYUZQANQKWJWEI-AWEZNQCLSA-N |
| Mol Weight | 379.41 g/mol |
| Molecular Formula | C18H25N3O6 |
| Exact Mass | 379.174336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bSv9XDuLsn |
|---|---|
| Name | Ethyl-N-(benzyloxycarbonyl)-alpha-aminobutyrylglycylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.174335531 u |
| Formula | C18H25N3O6 |
| InChI | InChI=1S/C18H25N3O6/c1-3-14(21-18(25)27-12-13-8-6-5-7-9-13)17(24)20-10-15(22)19-11-16(23)26-4-2/h5-9,14H,3-4,10-12H2,1-2H3,(H,19,22)(H,20,24)(H,21,25)/t14-/m0/s1 |
| InChIKey | JYUZQANQKWJWEI-AWEZNQCLSA-N |
| Molecular Weight | 379.413 g/mol |
| SMILES | C(N[C@](C(NCC(NCC(=O)OCC)=O)=O)(CC)[H])(=O)OCC=1C=CC=CC1 |