| SpectraBase Spectrum ID |
Clck02aMmMP |
| Name |
p-Toluenesulfonyl-tyrosyl-S-carboxymethylcysteine dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
524.128708210 u |
| Formula |
C23H28N2O8S2 |
| InChI |
InChI=1S/C23H28N2O8S2/c1-15-4-10-18(11-5-15)35(30,31)25-19(12-16-6-8-17(26)9-7-16)22(28)24-20(23(29)33-3)13-34-14-21(27)32-2/h4-11,19-20,25-26H,12-14H2,1-3H3,(H,24,28) |
| InChIKey |
LDVOEACNNIJXTE-UHFFFAOYSA-N |
| Molecular Weight |
524.603 g/mol |
| SMILES |
C1(=CC=C(C=C1)C)S(=O)(=O)NC(CC=1C=CC(=CC1)O)C(=O)NC(CSCC(OC)=O)C(=O)OC |
