| CAS Number | 1950635-16-1 |
| Catalog Number | AG01EO9J(AGN-PC-3H46AJ) |
| Chemical Name | E3 ligase Ligand-Linker Conjugates 17 |
| IUPAC Name | N-(8-aminooctyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C23H30N4O6.C2HF3O2/c24-12-5-3-1-2-4-6-13-25-19(29)14-33-17-9-7-8-15-20(17)23(32)27(22(15)31)16-10-11-18(28)26-21(16)30;3-2(4,5)1(6)7/h7-9,16H,1-6,10-14,24H2,(H,25,29)(H,26,28,30);(H,6,7) |
| InChI Key | AJVLNIUPDHKOPS-UHFFFAOYSA-N |
| MDL Number | MFCD31560485 |
| Molecular Formula | C25H31F3N4O8 |
| Molecular Weight | 572.5308 |
| SMILES | O=C(NCCCCCCCCN)COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O.O=C(O)C(F)(F)F |
| Synonyms | E3 ligase Ligand-Linker Conjugates 17,
1950635-16-1,
E3 Ligase Ligand-Linker Conjugates 20 (TFA),
SCHEMBL17839806,
CS-7756,
HY-103614,
|
| Complexity | 841 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 572.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 572.538g/mol |
| Monoisotopic Mass | 572.209g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 185A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number