Identita

Cefoperazone Impurity 4

Neuvedeno · C25H27N9O9S2

01Identita

Lazychem ID	LC-32872
CAS RN	Neuvedeno
PubChem CID	170455025
Molecular formula	C25H27N9O9S2
Molecular weight	661.7 g/mol
IUPAC name	(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey	KSTVWOSAKFOIKK-NADUUMBXSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Cefoperazone Impurity 4 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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	5
Secondary amines	0
Tertiary amines	0

SMILES	CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4=O)CSC5=NN=NN5C)C(=O)O
InChI	Neuvedeno

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.