| SpectraBase Compound ID | 5RYOttuBHnl |
|---|---|
| InChI | InChI=1S/C24H28N2O5/c1-17(2)14-20(26-24(29)31-16-19-12-8-5-9-13-19)22(27)25-21(23(28)30-3)15-18-10-6-4-7-11-18/h4-13,15,17,20H,14,16H2,1-3H3,(H,25,27)(H,26,29)/b21-15+/t20-/m0/s1 |
| InChIKey | ADXCLDPKPXQYHG-GDUPUGJQSA-N |
| Mol Weight | 424.5 g/mol |
| Molecular Formula | C24H28N2O5 |
| Exact Mass | 424.199822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3wvm6Hf1Fq |
|---|---|
| Name | Z-leu-.Delta.phe-ome |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.199822005 u |
| Formula | C24H28N2O5 |
| InChI | InChI=1S/C24H28N2O5/c1-17(2)14-20(26-24(29)31-16-19-12-8-5-9-13-19)22(27)25-21(23(28)30-3)15-18-10-6-4-7-11-18/h4-13,15,17,20H,14,16H2,1-3H3,(H,25,27)(H,26,29)/b21-15+/t20-/m0/s1 |
| InChIKey | ADXCLDPKPXQYHG-GDUPUGJQSA-N |
| Molecular Weight | 424.497 g/mol |
| SMILES | C(N\C(C(=O)OC)=C/C1=CC=CC=C1)([C@@](NC(=O)OCC1=CC=CC=C1)(CC(C)C)[H])=O |