| SpectraBase Spectrum ID |
5WoXzaI4MrJ |
| Name |
(Z)-N-Acetyl-5-methoxy-1-tosyldehydrotryptophan methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.119857604 u |
| Formula |
C22H22N2O6S |
| InChI |
InChI=1S/C22H22N2O6S/c1-14-5-8-18(9-6-14)31(27,28)24-13-16(11-20(22(26)30-4)23-15(2)25)19-12-17(29-3)7-10-21(19)24/h5-13H,1-4H3,(H,23,25)/b20-11- |
| InChIKey |
HNRXFDFDQJZJKC-JAIQZWGSSA-N |
| Molecular Weight |
442.486 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)OC |
