| CAS Number | 2139287-33-3 |
| Catalog Number | AG01ENHJ(AGN-PC-3H45LI) |
| Chemical Name | N-(5-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-1-(14-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-2-oxo-6,9,12-trioxa-3-azatetradecyl)piperidine-4-carboxamide |
| IUPAC Name | N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide |
| InChI | InChI=1S/C40H52N8O10S2/c1-40(2,3)29-21-43-32(58-29)24-59-33-22-44-39(60-33)46-35(51)25-9-13-47(14-10-25)23-31(50)42-12-16-56-18-20-57-19-17-55-15-11-41-27-6-4-5-26-34(27)38(54)48(37(26)53)28-7-8-30(49)45-36(28)52/h4-6,21-22,25,28,41H,7-20,23-24H2,1-3H3,(H,42,50)(H,44,46,51)(H,45,49,52) |
| InChI Key | BXDZOYLPNAIDOC-UHFFFAOYSA-N |
| MDL Number | MFCD31689257 |
| Molecular Formula | C40H52N8O10S2 |
| Molecular Weight | 869.0185 |
| SMILES | C(C)(C)(C)C1=CN=C(O1)CSC1=CN=C(S1)NC(=O)C1CCN(CC1)CC(NCCOCCOCCOCCNC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O)=O |
| Synonyms | THAL-SNS-032,
2139287-33-3,
N-(5-(((5-(tert-butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-1-(14-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-2-oxo-6,9,12-trioxa-3-azatetradecyl)piperidine-4-carboxamide,
THAL SNS 032,
AKOS037435227,
|
| Complexity | 1500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 868.325g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 60 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 869.022g/mol |
| Monoisotopic Mass | 868.325g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 277A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number