| SpectraBase Spectrum ID |
CXa8o4gZhXG |
| Name |
L-Isoleucyl-L-isoleucyl-L-isoleucine, N,N',N''-trimethyl-N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
539.318220632 u |
| Formula |
C25H44F3N3O6 |
| InChI |
InChI=1S/C25H44F3N3O6/c1-11-15(4)18(29(7)22(33)19(16(5)12-2)31(9)24(35)36-10)21(32)30(8)20(17(6)13-3)23(34)37-14-25(26,27)28/h15-20H,11-14H2,1-10H3 |
| InChIKey |
XRSYJZQUOJYBNG-UHFFFAOYSA-N |
| Molecular Weight |
539.637 g/mol |
| SMILES |
C(C(N(C(=O)C(N(C)C(OC)=O)C(CC)C)C)C(CC)C)(=O)N(C(C(OCC(F)(F)F)=O)C(CC)C)C |
