| SpectraBase Compound ID | 3JCY5cLW9K8 |
|---|---|
| InChI | InChI=1S/C22H26N2O6S/c1-31-12-11-18(24-22(29)30-14-16-5-3-2-4-6-16)20(26)23-19(21(27)28)13-15-7-9-17(25)10-8-15/h2-10,18-19,25H,11-14H2,1H3,(H,23,26)(H,24,29)(H,27,28)/t18-,19-/m0/s1 |
| InChIKey | IFISDOKVQUPZEM-OALUTQOASA-N |
| Mol Weight | 446.52 g/mol |
| Molecular Formula | C22H26N2O6S |
| Exact Mass | 446.151158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CoLthFmxNZ |
|---|---|
| Name | L-Methioninyl-L-tyrosine, N-carbobenzyloxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.151157733 u |
| Formula | C22H26N2O6S |
| InChI | InChI=1S/C22H26N2O6S/c1-31-12-11-18(24-22(29)30-14-16-5-3-2-4-6-16)20(26)23-19(21(27)28)13-15-7-9-17(25)10-8-15/h2-10,18-19,25H,11-14H2,1H3,(H,23,26)(H,24,29)(H,27,28)/t18-,19-/m0/s1 |
| InChIKey | IFISDOKVQUPZEM-OALUTQOASA-N |
| Molecular Weight | 446.518 g/mol |
| SMILES | C1=CC(C[C@@](C(O)=O)(NC([C@](CCSC)(NC(OCC2=CC=CC=C2)=O)[H])=O)[H])=CC=C1O |