| SpectraBase Spectrum ID |
JI5IZw2Hl8t |
| Name |
N-Carbobenzyloxy-4-methylsulfonyloxy-proline-phenylalanine ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.172287100 u |
| Formula |
C25H30N2O8S |
| InChI |
InChI=1S/C25H30N2O8S/c1-3-33-24(29)21(14-18-10-6-4-7-11-18)26-23(28)22-15-20(35-36(2,31)32)16-27(22)25(30)34-17-19-12-8-5-9-13-19/h4-13,20-22H,3,14-17H2,1-2H3,(H,26,28) |
| InChIKey |
ZYZMCRKBWQNLOG-UHFFFAOYSA-N |
| Molecular Weight |
518.581 g/mol |
| SMILES |
C1N(C(CC1OS(=O)(=O)C)C(NC(CC1=CC=CC=C1)C(OCC)=O)=O)C(=O)OCC=1C=CC=CC1 |
