| CAS Number | 1950635-14-9 |
| Catalog Number | AG01EO9Q(AGN-PC-3H46BG) |
| Chemical Name | E3 Ligase Ligand-Linker Conjugates 25 Trifluoroacetate |
| IUPAC Name | N-(6-aminohexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C21H26N4O6.C2HF3O2/c22-10-3-1-2-4-11-23-17(27)12-31-15-7-5-6-13-18(15)21(30)25(20(13)29)14-8-9-16(26)24-19(14)28;3-2(4,5)1(6)7/h5-7,14H,1-4,8-12,22H2,(H,23,27)(H,24,26,28);(H,6,7) |
| InChI Key | KNNGJZWEJKPKSW-UHFFFAOYSA-N |
| MDL Number | MFCD31715439 |
| Molecular Formula | C23H27F3N4O8 |
| Molecular Weight | 544.4777 |
| SMILES | FC(C(=O)O)(F)F.NCCCCCCNC(COC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O)=O |
| Synonyms | E3 Ligase Ligand-Linker Conjugates 25 (TFA),
E3 Ligase Ligand-Linker Conjugates 25 Trifluoroacetate,
1950635-14-9,
SCHEMBL17839767,
HY-112618A,
CS-0058449,
|
| Complexity | 810 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 544.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 544.484g/mol |
| Monoisotopic Mass | 544.178g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 185A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number