SpectraBase Spectrum ID |
4snbX2C3In3 |
Name |
L-Isoleucyl-L-isoleucine, N-pentafluoropropionyl-, heptadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
628.423849134 u |
Formula |
C32H57F5N2O4 |
InChI |
InChI=1S/C32H57F5N2O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43-29(41)27(25(5)8-3)38-28(40)26(24(4)7-2)39-30(42)31(33,34)32(35,36)37/h24-27H,6-23H2,1-5H3,(H,38,40)(H,39,42) |
InChIKey |
VLPWGVMNKMVDGK-UHFFFAOYSA-N |
Molecular Weight |
628.810 g/mol |
SMILES |
CCCCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)CC)=O)C(C)CC)=O |