| SpectraBase Spectrum ID |
69oQBQxY8hG |
| Name |
(Z)-N-Acetyl-5-bromo-1-tosyldehydrotryptophan methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.019805889 u |
| Formula |
C21H19BrN2O5S |
| InChI |
InChI=1S/C21H19BrN2O5S/c1-13-4-7-17(8-5-13)30(27,28)24-12-15(18-11-16(22)6-9-20(18)24)10-19(21(26)29-3)23-14(2)25/h4-12H,1-3H3,(H,23,25)/b19-10- |
| InChIKey |
PBBXJOILXFMIMU-GRSHGNNSSA-N |
| Molecular Weight |
491.356 g/mol |
| SMILES |
C=1N(S(C2=CC=C(C=C2)C)(=O)=O)C=2C(C1\C=C\(C(=O)OC)NC(=O)C)=CC(=CC2)Br |
