Identiteet

Delta2-Cefoxitin

Pole loetletud · C16H17N3O7S2

01Identiteet

Lazychem ID	LC-33028
CAS RN	Pole loetletud
PubChem CID	169435829
Molecular formula	C16H17N3O7S2
Molecular weight	427.5 g/mol
IUPAC name	(2R,6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
InChIKey	FNLHDPKGLFRMLP-XFJVYGCCSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Delta2-Cefoxitin — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 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	3
Secondary amines	0
Tertiary amines	0

SMILES	CO[C@@]1([C@@H]2N(C1=O)[C@H](C(=CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3
InChI	Pole loetletud

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.