| SpectraBase Spectrum ID |
2k6Pc6EhFou |
| Name |
L-Isoleucyl-L-alanine, N-isobutoxycarbonyl-, octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.309372455 u |
| Formula |
C22H42N2O5 |
| InChI |
InChI=1S/C22H42N2O5/c1-7-9-10-11-12-13-14-28-21(26)18(6)23-20(25)19(17(5)8-2)24-22(27)29-15-16(3)4/h16-19H,7-15H2,1-6H3,(H,23,25)(H,24,27) |
| InChIKey |
DHZZPRLNXVQRJE-UHFFFAOYSA-N |
| Molecular Weight |
414.587 g/mol |
| SMILES |
CC(C)COC(NC(C(NC(C(OCCCCCCCC)=O)C)=O)C(CC)C)=O |
