| CAS Number | 1835705-61-7 |
| Catalog Number | AG01EO9U(AGN-PC-3H46B1) |
| Chemical Name | E3 Ligase Ligand-Linker Conjugates 11 |
| IUPAC Name | (2S,4R)-1-[(2S)-2-[6-[5-(6-chlorohexoxy)pentoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C39H61ClN4O6S/c1-29-35(51-28-42-29)31-18-16-30(17-19-31)26-41-37(47)33-25-32(45)27-44(33)38(48)36(39(2,3)4)43-34(46)15-9-7-12-22-50-24-14-8-13-23-49-21-11-6-5-10-20-40/h16-19,28,32-33,36,45H,5-15,20-27H2,1-4H3,(H,41,47)(H,43,46)/t32-,33+,36-/m1/s1 |
| InChI Key | DVLICOWBWULAJJ-RWTOGVPBSA-N |
| MDL Number | MFCD31560481 |
| Molecular Formula | C39H61ClN4O6S |
| Molecular Weight | 749.4428 |
| SMILES | C(N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(=O)NCC1C=CC(C2SC=NC=2C)=CC=1)=O)(=O)CCCCCOCCCCCOCCCCCCCl |
| Synonyms | E3 ligase Ligand-Linker Conjugates 11,
SCHEMBL18788281,
CS-7751,
1835705-61-7,
HY-103608,
|
| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 748.4g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 749.449g/mol |
| Monoisotopic Mass | 748.4g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 158A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
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