| CAS Number | 1948273-03-7 |
| Catalog Number | AG01EO90(AGN-PC-3H46A8) |
| Chemical Name | (S,R,S)-AHPC-Me HCl |
| IUPAC Name | 1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C23H32N4O3S.ClH/c1-13(15-6-8-16(9-7-15)19-14(2)25-12-31-19)26-21(29)18-10-17(28)11-27(18)22(30)20(24)23(3,4)5;/h6-9,12-13,17-18,20,28H,10-11,24H2,1-5H3,(H,26,29);1H |
| InChI Key | GHFOLQCCYGBOTL-UHFFFAOYSA-N |
| MDL Number | MFCD30729675 |
| Molecular Formula | C23H33ClN4O3S |
| Molecular Weight | 481.0511 |
| SMILES | O=[C@@]([C@H]1N(C([C@@H](N)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C.[H]Cl |
| Synonyms | 1948273-03-7,
E3 ligase Ligand 1,
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| Complexity | 647 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 480.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 481.052g/mol |
| Monoisotopic Mass | 480.196g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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