Identita

Cefmetazole Impurity 24

Neuvedeno · C28H27N7O5S3

01Identita

Lazychem ID	LC-44228
CAS RN	Neuvedeno
PubChem CID	14305095
Molecular formula	C28H27N7O5S3
Molecular weight	637.8 g/mol
IUPAC name	benzhydryl (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChIKey	PDJYAXXJVUFLLL-IAPPQJPRSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Cefmetazole Impurity 24 — 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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI	Neuvedeno

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.