| CAS Number | 1957235-75-4 |
| Catalog Number | AG01EO9S(AGN-PC-3H46B0) |
| Chemical Name | E3 Ligase Ligand-Linker Conjugates 24 TFA |
| IUPAC Name | N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C21H26N4O8.C2HF3O2/c22-6-8-31-10-11-32-9-7-23-17(27)12-33-15-3-1-2-13-18(15)21(30)25(20(13)29)14-4-5-16(26)24-19(14)28;3-2(4,5)1(6)7/h1-3,14H,4-12,22H2,(H,23,27)(H,24,26,28);(H,6,7) |
| InChI Key | JQWXWSIQGKGHEB-UHFFFAOYSA-N |
| MDL Number | MFCD31715438 |
| Molecular Formula | C23H27F3N4O10 |
| Molecular Weight | 576.4765 |
| SMILES | C(NCCOCCOCCN)(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O.C(O)(=O)C(F)(F)F |
| Synonyms | E3 Ligase Ligand-Linker Conjugates 24 (TFA),
SCHEMBL17873771,
HY-112617A,
CS-0058447,
E3 Ligase Ligand-Linker Conjugates 24 TFA,
1957235-75-4,
|
| Complexity | 844 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 576.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 576.482g/mol |
| Monoisotopic Mass | 576.168g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 204A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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