Tunnistetiedot

Daclatasvir Impurity C

Ei ilmoitettu · C29H32N6O3

01Tunnistetiedot

Lazychem IDLC-39014
CAS RNEi ilmoitettu
PubChem CID67506037
Molecular formulaC29H32N6O3
Molecular weight512.6 g/mol
IUPAC namemethyl N-[(2S)-1-[(2S)-2-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
InChIKeyNFGBCKRQBIRTLN-UIOOFZCWSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 67506037
Two-dimensional chemical structure of Daclatasvir Impurity C
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=CN5)NC(=O)OC
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

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.

04Tila Intiassa

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimet ja suhteet

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      06Lähteet