Identità

Relebactam Impurity 102

Non indicato · C14H22N4O6S

01Identità

Lazychem ID	LC-35674
CAS RN	Non indicato
PubChem CID	126709450
Molecular formula	C14H22N4O6S
Molecular weight	374.42 g/mol
IUPAC name	[(2S,5R)-2-(3-azabicyclo[3.2.1]octan-8-ylcarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
InChIKey	GGFHJVFMYZFKTD-BMRWJMQYSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Relebactam Impurity 102 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	1
Tertiary amines	0

SMILES	C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NC3C4CCC3CNC4
InChI	Non indicato

03Stereochemistry

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

Defined centres2Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.