| SpectraBase Spectrum ID |
HAFF3OTeHyg |
| Name |
p-Toluenesulfonyl-tyrosyl-S-carboxymethylcystine, diethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
552.160008338 u |
| Formula |
C25H32N2O8S2 |
| InChI |
InChI=1S/C25H32N2O8S2/c1-4-34-23(29)16-36-15-22(25(31)35-5-2)26-24(30)21(14-18-8-10-19(28)11-9-18)27-37(32,33)20-12-6-17(3)7-13-20/h6-13,21-22,27-28H,4-5,14-16H2,1-3H3,(H,26,30) |
| InChIKey |
HAZBIJBNZLVATP-UHFFFAOYSA-N |
| Molecular Weight |
552.657 g/mol |
| SMILES |
C1=C(C=CC(=C1)C)S(=O)(=O)NC(C(NC(CSCC(OCC)=O)C(OCC)=O)=O)CC1=CC=C(C=C1)O |
