HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86728126Generated: November 2, 2026
tert-butyl N-[(11bR)-10-amino-3,3,4a,11b-tetramethyl-4,4-dioxo-5,6-dihydro-[1]benzoxepino[4,5-b][1,4]thiazin-2-yl]-N-tert-butoxycarbonyl-carbamate
https://huagongshe.com/en/chemical/86728126
Identifiers & Physical Properties
| Molecular formula | C26H39N3O7S |
|---|
| Average molar mass | 537.7 g/mol |
|---|
| Monoisotopic mass | 537.25087177 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=N[C@]2(C)c3cc(N)ccc3OCCC2(C)S(=O)(=O)C1(C)C |
|---|
| InChIKey | ZFGHOPZZRDVSGG-FXDYGKIASA-N |
|---|
| PubChem CID | 86728126 |
|---|
Chemical & Physical Properties
| XLogP | 3.3 |
|---|
| Topological polar surface area | 146 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 9 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 37 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,040 |
|---|
![tert-butyl N-[(11bR)-10-amino-3,3,4a,11b-tetramethyl-4,4-dioxo-5,6-dihydro-[1]benzoxepino[4,5-b][1,4]thiazin-2-yl]-N-tert-butoxycarbonyl-carbamate molecular structure](/img/chemical/86728126.png)