| SpectraBase Spectrum ID |
1nBCyEL8Hz8 |
| Name |
(Rs,2S,3R)-2-Benzyloxycarbonylamino-3-(toluene-4-sulfinyl)-2-trifluoromethylbutyric acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22F3NO5S |
| InChI |
InChI=1S/C21H22F3NO5S/c1-14-9-11-17(12-10-14)31(28)15(2)20(18(26)29-3,21(22,23)24)25-19(27)30-13-16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3,(H,25,27)/t15-,20+,31?/m1/s1 |
| InChIKey |
NSEIZLQQOYDXGX-BLXNZERXSA-N |
| Molecular Weight |
457.464 g/mol |
| SMILES |
N([C@](C(=O)OC)([C@@](C)(S(=O)c1ccc(cc1)C)[H])C(F)(F)F)C(=O)OCc1ccccc1 |
| SPLASH |
splash10-0006-9000000000-e576fd65568546f9ffc8 |
| Source of Spectrum |
J-65-2970-14 |
| Synonyms |
Methyl (2S,3R)-2-{[(benzyloxy)carbonyl]amino}-3-[(4-methylphenyl)sulfinyl]-2-(trifluoromethyl)butanoate |
| Wiley ID |
1532518 |
