Identiteet

Oxacillin Impurity 9

Pole loetletud · C19H19N3O6S

01Identiteet

Lazychem ID	LC-44819
CAS RN	Pole loetletud
PubChem CID	13175846
Molecular formula	C19H19N3O6S
Molecular weight	417.4 g/mol
IUPAC name	(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKey	UKMQXNCOIIDGAH-VEBJZMRLSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Oxacillin Impurity 9 — 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	0

SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4=O)(C)C)C(=O)O
InChI	Pole loetletud

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres1Structure 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.