Identität

Daclatasvir Impurity B

Nicht angegeben · C35H41N7O4

01Identität

Lazychem ID	LC-33978
CAS RN	Nicht angegeben
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

02Struktur und Stereochemie

Two-dimensional chemical structure of Daclatasvir Impurity B — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	6
Secondary amines	0
Tertiary amines	0

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	Nicht angegeben

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 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.