2D structurePubChem CID 11285588
Identitet
Danoprevir
Ikke angivet · C35H46FN5O9S
01Identitet
| Lazychem ID | LC-77909 |
|---|---|
| CAS RN | Ikke angivet |
| PubChem CID | 11285588 |
| Molecular formula | C35H46FN5O9S |
| Molecular weight | 731.8 g/mol |
| IUPAC name | [(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate |
| InChIKey | ZVTDLPBHTSMEJZ-JSZLBQEHSA-N |
02Struktur og stereokemi
2D structurePubChem CID 11285588
| SMILES | CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6 |
|---|---|
| InChI | Ikke angivet |
03Stereochemistry
The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Status i Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Navne og relationer
API og moderlægemiddel
Ikke angivet
Navne og relationer
06Kilder
- S01PubChem CID 11285588
Structure and machine-readable chemical identifiers.