| SpectraBase Spectrum ID |
4EEkStpr304 |
| Name |
L-Isoleucine, N-isobutoxycarbonyl-, hexadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-26(29)25(24(5)7-2)28-27(30)32-22-23(3)4/h23-25H,6-22H2,1-5H3,(H,28,30) |
| InChIKey |
KPXDWEULRZTAPP-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
CC(C)COC(NC(C(OCCCCCCCCCCCCCCCC)=O)C(CC)C)=O |
