Identitet

Relebactam Impurity 114

Ikke angivet · C13H21FN4O6S

01Identitet

Lazychem ID	LC-41299
CAS RN	Ikke angivet
PubChem CID	44184563
Molecular formula	C13H21FN4O6S
Molecular weight	380.39 g/mol
IUPAC name	[(2S,5R)-2-[[(3R,4S)-3-fluoroazepan-4-yl]carbamoyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
InChIKey	TVTNYRVZKCCMSJ-ZNSHCXBVSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Relebactam Impurity 114 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	3
Secondary amines	1
Tertiary amines	0

SMILES	C1C[C@@H]([C@@H](CNC1)F)NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O
InChI	Ikke angivet

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully 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.