Kni 727
(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Also Known As: KNI-727|KNI 727|BDBM712|JE-1482|6,9-dihydroxy-4,7-megastigmadien-3-one|N-(3-((4R)-4-(N-(tert-Butyl)carbamoyl)-5,5-dimethyl(1,3-thiazolidin-3-yl))(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)-2-(2,6-dimethylphenoxy)acetamide|(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide|(4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphenoxy)acetamido]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide|Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-((2S,3S)-3-(((2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-, (4R)-|(4R)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[[(2,6-dimethylphenoxy)acetyl]amino]-4-phenylbutyryl]-5,5-dimethylthiazolidine-4-carboxamide|(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide|(4R)-N-tert-Butyl-3-{(2S,3S)-3-[2-(2,6-dimethylphenoxy)acetamido]-2-hydroxy-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxamide|(R)-N-tert-Butyl-3-[(2S,3S)-3-(2,6-dimethylpropylphenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide|N-(3-{(4R)-4-[N-(tert-Butyl)carbamoyl]-5,5-dimethyl(1,3-thiazolidin-3-yl)}(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)-2-(2,6-dimethylphenoxy)acetamide|Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-[(2S,3S)-3-[[(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-, (4R)-
| Molecular Formula | C30H41N3O5S |
|---|---|
| Molecular Weight | 555.2767 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 555.2767 |
| Monoisotopic Mass | 555.2767 |
| Heavy Atoms | 39 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 189357-33-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O |
| InChIKey | CSWRAOHDICNMPU-LLZJGCNPSA-N |
Product Overview
Kni 727 (CAS 189357-33-3), with molecular formula C30H41N3O5S and molecular weight 555.2767 g/mol. IUPAC: (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.