Tunnistetiedot

Dalilesen Impurity 3

Ei ilmoitettu · C18H26ClN3O3

01Tunnistetiedot

Lazychem ID	LC-36206
CAS RN	Ei ilmoitettu
PubChem CID	118142609
Molecular formula	C18H26ClN3O3
Molecular weight	367.9 g/mol
IUPAC name	tert-butyl (2S)-2-[(2-amino-4-chloro-3-methylphenyl)carbamoyl]-2-methylpyrrolidine-1-carboxylate
InChIKey	CORFQPFEGSYSRN-SFHVURJKSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Dalilesen Impurity 3 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C(C=CC(=C1N)NC(=O)[C@@]2(CCCN2C(=O)OC(C)(C)C)C)Cl
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before 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.