![Ethyl 2-([R)-5-methanesulfoxymethylpyrrolidin-2-ylidene]-2-[(S)-2-benzoyloxy-3-methylbutanoylamino]acetate](/api/spectrum/C6nj3v8NVLD/structure.png?h=300&w=458 "Ethyl 2-([R)-5-methanesulfoxymethylpyrrolidin-2-ylidene]-2-[(S)-2-benzoyloxy-3-methylbutanoylamino]acetate")
| SpectraBase Compound ID | ClJyp0LU6Fe |
|---|---|
| InChI | InChI=1S/C22H30N2O8S/c1-5-30-22(27)18(17-12-11-16(23-17)13-31-33(4,28)29)24-20(25)19(14(2)3)32-21(26)15-9-7-6-8-10-15/h6-10,14,16,19,23H,5,11-13H2,1-4H3,(H,24,25)/b18-17+/t16-,19+/m1/s1 |
| InChIKey | AIDIERXMHPBMER-GLYWSJEWSA-N |
| Mol Weight | 482.55 g/mol |
| Molecular Formula | C22H30N2O8S |
| Exact Mass | 482.172287 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C6nj3v8NVLD |
|---|---|
| Name | Ethyl 2-([R)-5-methanesulfoxymethylpyrrolidin-2-ylidene]-2-[(S)-2-benzoyloxy-3-methylbutanoylamino]acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30N2O8S |
| InChI | InChI=1S/C22H30N2O8S/c1-5-30-22(27)18(17-12-11-16(23-17)13-31-33(4,28)29)24-20(25)19(14(2)3)32-21(26)15-9-7-6-8-10-15/h6-10,14,16,19,23H,5,11-13H2,1-4H3,(H,24,25)/b18-17+/t16-,19+/m1/s1 |
| InChIKey | AIDIERXMHPBMER-GLYWSJEWSA-N |
| Molecular Weight | 482.548 g/mol |
| SMILES | N1[C@](CC\C1=C\(NC([C@@](OC(=O)c1ccccc1)(C(C)C)[H])=O)C(=O)OCC)(COS(=O)(=O)C)[H] |
| SPLASH | splash10-0a4i-0900100000-add1b155373fdfab8a39 |
| Source of Spectrum | F-59-3096-22b |
| Wiley ID | 1677923 |