| CAS Number | 1797406-81-5 |
| Catalog Number | AG01EO9O(AGN-PC-3H46AN) |
| Chemical Name | E3 ligase Ligand-Linker Conjugates 4 |
| IUPAC Name | (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C32H47N7O8S/c1-22-28(48-21-35-22)24-7-5-23(6-8-24)18-34-30(42)26-17-25(40)19-39(26)31(43)29(32(2,3)4)37-27(41)20-47-16-15-46-14-13-45-12-11-44-10-9-36-38-33/h5-8,21,25-26,29,40H,9-20H2,1-4H3,(H,34,42)(H,37,41)/t25-,26+,29-/m1/s1 |
| InChI Key | UFMONCFLONVNNI-UWPQIUOOSA-N |
| MDL Number | MFCD31807302 |
| Molecular Formula | C32H47N7O8S |
| Molecular Weight | 689.8227 |
| SMILES | N(=[N+]=[N-])CCOCCOCCOCCOCC(N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCC1=CC=C(C=C1)C1=C(N=CS1)C)C(C)(C)C)=O |
| Synonyms | E3 ligase Ligand-Linker Conjugates 4,
SCHEMBL19875321,
CS-7737,
1797406-81-5,
HY-103601,
|
| Complexity | 1050 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 689.321g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 689.829g/mol |
| Monoisotopic Mass | 689.321g/mol |
| Rotatable Bond Count | 21 |
| Topological Polar Surface Area | 191A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Lot Number