Tapatybė

Atrasentan Impurity 10

Nenurodyta · C28H36N2O6

01Tapatybė

Lazychem ID	LC-47531
CAS RN	Nenurodyta
PubChem CID	10185197
Molecular formula	C28H36N2O6
Molecular weight	496.6 g/mol
IUPAC name	(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
InChIKey	KYJWVYKHXNBIHJ-XCRWMPKNSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Atrasentan Impurity 10 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 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	4
Secondary amines	0
Tertiary amines	1

SMILES	CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)O)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI	Nenurodyta

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.