SpectraBase Spectrum ID |
KPITvrH6K6T |
Name |
Stearic acid, 3-hydroxy-2-[[N-[N-boc]amino-N-boc]amino]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
558.424402209 u |
Formula |
C30H58N2O7 |
InChI |
InChI=1S/C30H58N2O7/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24(33)25(26(34)37-10-2)32(28(36)39-30(6,7)8)31-27(35)38-29(3,4)5/h24-25,33H,9-23H2,1-8H3,(H,31,35) |
InChIKey |
UAIIXPRTLIDISR-UHFFFAOYSA-N |
Molecular Weight |
558.801 g/mol |
SMILES |
C(OC(C)(C)C)(NN(C(OC(C)(C)C)=O)C(C(=O)OCC)C(O)CCCCCCCCCCCCCCC)=O |