| CAS Number | 1957236-21-3 |
| Catalog Number | AG01EO9K(AGN-PC-3H46AK) |
| Chemical Name | E3 ligase Ligand-Linker Conjugates 14 |
| IUPAC Name | N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C23H30N4O9.C2HF3O2/c24-6-8-33-10-12-35-13-11-34-9-7-25-19(29)14-36-17-3-1-2-15-20(17)23(32)27(22(15)31)16-4-5-18(28)26-21(16)30;3-2(4,5)1(6)7/h1-3,16H,4-14,24H2,(H,25,29)(H,26,28,30);(H,6,7) |
| InChI Key | BLYRZYHKZRITLJ-UHFFFAOYSA-N |
| MDL Number | MFCD31560482 |
| Molecular Formula | C25H31F3N4O11 |
| Molecular Weight | 620.5290 |
| SMILES | c1cc2c(c(c1)OCC(=O)NCCOCCOCCOCCN)C(=O)N(C2=O)C3CCC(=O)NC3=O.C(=O)(C(F)(F)F)O |
| Synonyms | E3 ligase Ligand-Linker Conjugates 14,
1957236-21-3,
SCHEMBL17873786,
CS-7753,
HY-103611,
|
| Complexity | 892 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 620.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 620.535g/mol |
| Monoisotopic Mass | 620.194g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 213A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number