Identitet

Benzylpenicillin EP Impurity E

Ikke angivet · C16H20N2O5S

01Identitet

Lazychem ID	LC-35496
CAS RN	Ikke angivet
PubChem CID	129318426
Molecular formula	C16H20N2O5S
Molecular weight	352.4 g/mol
IUPAC name	(4S)-2-[carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
InChIKey	HCYWNSXLUZRKJX-CPCZMJQVSA-N

02Struktur og stereokemi

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

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	2
Secondary amines	1
Tertiary amines	0

SMILES	CC1([C@@H](NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C
InChI	Ikke angivet

03Stereochemistry

The published structure contains 1 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

3 records

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.