| SpectraBase Spectrum ID |
Gu9BRQktH7E |
| Name |
N-p-Toluenesulfonyl-tyrosyl-S-benzylcysteine methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.154529036 u |
| Formula |
C27H30N2O6S2 |
| InChI |
InChI=1S/C27H30N2O6S2/c1-19-8-14-23(15-9-19)37(33,34)29-24(16-20-10-12-22(30)13-11-20)26(31)28-25(27(32)35-2)18-36-17-21-6-4-3-5-7-21/h3-15,24-25,29-30H,16-18H2,1-2H3,(H,28,31) |
| InChIKey |
NTJDSALBNYZTES-UHFFFAOYSA-N |
| Molecular Weight |
542.665 g/mol |
| SMILES |
C1=C(C=CC(=C1)C)S(=O)(=O)NC(CC1=CC=C(C=C1)O)C(NC(C(OC)=O)CSCC1=CC=CC=C1)=O |
