| CAS Number | 1835705-55-9 |
| Catalog Number | AG01EO9T(AGN-PC-3H46AP) |
| Chemical Name | E3 ligase Ligand-Linker Conjugates 8 |
| IUPAC Name | (2S,4R)-1-[(2S)-2-[6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C38H59ClN4O7S/c1-28-34(51-27-41-28)30-15-13-29(14-16-30)25-40-36(46)32-24-31(44)26-43(32)37(47)35(38(2,3)4)42-33(45)12-8-7-11-19-49-21-23-50-22-20-48-18-10-6-5-9-17-39/h13-16,27,31-32,35,44H,5-12,17-26H2,1-4H3,(H,40,46)(H,42,45)/t31-,32+,35-/m1/s1 |
| InChI Key | MLRLOIWXHCPWFF-MEEYNGGZSA-N |
| MDL Number | MFCD31560478 |
| Molecular Formula | C38H59ClN4O7S |
| Molecular Weight | 751.4157 |
| SMILES | N1(C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCOCCOCCOCCCCCCCl)C[C@H](O)C[C@H]1C(NCC1=CC=C(C2SC=NC=2C)C=C1)=O |
| Synonyms | E3 ligase Ligand-Linker Conjugates 8,
SCHEMBL18788302,
CS-7748,
1835705-55-9,
HY-103605,
|
| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 750.379g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 751.421g/mol |
| Monoisotopic Mass | 750.379g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 168A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
Lot Number