Azonosítás

Cefalonium Impurity 1

Nincs megadva · C24H22N4O8S3

01Azonosítás

Lazychem ID	LC-33765
CAS RN	Nincs megadva
PubChem CID	154729267
Molecular formula	C24H22N4O8S3
Molecular weight	590.7 g/mol
IUPAC name	(6R,7R)-3-(acetyloxymethyl)-7-[(4R,5R)-3,11-dioxo-4-[(2-thiophen-2-ylacetyl)amino]-6-thia-2,10-diazatricyclo[6.3.0.02,5]undec-1(8)-en-10-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	PDKOPAMEWCCSIN-ZIFPLYCDSA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Cefalonium Impurity 1 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N3CC4=C(C3=O)N5[C@@H]([C@@H](C5=O)NC(=O)CC6=CC=CS6)SC4)SC1)C(=O)O
InChI	Nincs megadva

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.