| SpectraBase Spectrum ID |
1OBvDKUAvok |
| Name |
(Z)-N-Ethoxycarbonyl-4-bromo-1-tosyldehydrotryptophan Methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21BrN2O6S |
| InChI |
InChI=1S/C22H21BrN2O6S/c1-4-31-22(27)24-18(21(26)30-3)12-15-13-25(19-7-5-6-17(23)20(15)19)32(28,29)16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,24,27)/b18-12- |
| InChIKey |
VMQVKVOWGDMZLI-PDGQHHTCSA-N |
| Molecular Weight |
521.382 g/mol |
| SMILES |
N(\C(=C/c1c[n](S(c2ccc(cc2)C)(=O)=O)c2c1c(Br)ccc2)C(=O)OC)C(=O)OCC |
| SPLASH |
splash10-00dl-5000090000-882b849e6872e1c47b5c |
| Source of Spectrum |
E1-42-837-8 |
| Wiley ID |
1552498 |
