| SpectraBase Spectrum ID |
F7QnOtAaYqD |
| Name |
3-(2-Tert-butoxycarbonylamino-4-methylsulfanyl-butyrylamino)-3-(4-methoxy- phenyl)-propionic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.213757991 u |
| Formula |
C22H34N2O6S |
| InChI |
InChI=1S/C22H34N2O6S/c1-7-29-19(25)14-18(15-8-10-16(28-5)11-9-15)23-20(26)17(12-13-31-6)24-21(27)30-22(2,3)4/h8-11,17-18H,7,12-14H2,1-6H3,(H,23,26)(H,24,27) |
| InChIKey |
UNXWBTAEQJUYAW-UHFFFAOYSA-N |
| Molecular Weight |
454.582 g/mol |
| SMILES |
C(NC(C(NC(CC(=O)OCC)C1=CC=C(C=C1)OC)=O)CCSC)(OC(C)(C)C)=O |
