| SpectraBase Compound ID | 2Wk0EtenOxQ |
|---|---|
| InChI | InChI=1S/C20H22N2O5/c1-14(21-20(26)27-13-16-10-6-3-7-11-16)18(23)22-17(19(24)25)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,17-/m0/s1 |
| InChIKey | BVNXQVWGWUHKMK-YOEHRIQHSA-N |
| Mol Weight | 370.41 g/mol |
| Molecular Formula | C20H22N2O5 |
| Exact Mass | 370.152872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj1WkAMpX9V |
|---|---|
| Name | L-N-(N-Carboxy-L-alanyl)-3-phenylalanine, N-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.152871811 u |
| Formula | C20H22N2O5 |
| InChI | InChI=1S/C20H22N2O5/c1-14(21-20(26)27-13-16-10-6-3-7-11-16)18(23)22-17(19(24)25)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,17-/m0/s1 |
| InChIKey | BVNXQVWGWUHKMK-YOEHRIQHSA-N |
| Molecular Weight | 370.405 g/mol |
| SMILES | N([C@](C(N[C@](C(O)=O)(CC=1C=CC=CC1)[H])=O)(C)[H])C(OCC=1C=CC=CC1)=O |