| SpectraBase Compound ID | 3sJAirIfVmV |
|---|---|
| InChI | InChI=1S/C22H26N2O6/c1-14(2)19(21(27)28)24-20(26)18(12-15-8-10-17(25)11-9-15)23-22(29)30-13-16-6-4-3-5-7-16/h3-11,14,18-19,25H,12-13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t18-,19-/m0/s1 |
| InChIKey | UQGCYZMRZVUJAC-OALUTQOASA-N |
| Mol Weight | 414.46 g/mol |
| Molecular Formula | C22H26N2O6 |
| Exact Mass | 414.179087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PYldUb3o1Q |
|---|---|
| Name | N-Carbobenzyloxy-L-tyrosyl-L-valine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.179086559 u |
| Formula | C22H26N2O6 |
| InChI | InChI=1S/C22H26N2O6/c1-14(2)19(21(27)28)24-20(26)18(12-15-8-10-17(25)11-9-15)23-22(29)30-13-16-6-4-3-5-7-16/h3-11,14,18-19,25H,12-13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)/t18-,19-/m0/s1 |
| InChIKey | UQGCYZMRZVUJAC-OALUTQOASA-N |
| Molecular Weight | 414.458 g/mol |
| SMILES | C1=C(C=CC=C1)COC(N[C@@](CC=1C=CC(=CC1)O)(C(N[C@](C(O)=O)(C(C)C)[H])=O)[H])=O |