2D structurePubChem CID 146681200
Identidade
Daclatasvir Impurity B
Não indicado · C35H41N7O4
01Identidade
| Lazychem ID | LC-33978 |
|---|---|
| CAS RN | Não indicado |
| PubChem CID | 146681200 |
| Molecular formula | C35H41N7O4 |
| Molecular weight | 623.7 g/mol |
| IUPAC name | methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate |
| InChIKey | JYVHPJBIMHHKQX-CHQNGUEUSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 146681200
| SMILES | CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)C)NC(=O)OC |
|---|---|
| InChI | Não indicado |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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.
04Estado na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
06Fontes
- S01PubChem CID 146681200
Structure and machine-readable chemical identifiers.