Tapatybė

Amoxicillin T trihydrate

Nenurodyta · C16H25N3O8S

01Tapatybė

Lazychem ID	LC-42215
CAS RN	Nenurodyta
PubChem CID	22817448
Molecular formula	C16H25N3O8S
Molecular weight	419.5 g/mol
IUPAC name	(2S,5R,6R)-6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate
InChIKey	MQXQVCLAUDMCEF-LHKJIHSLSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Amoxicillin T trihydrate — 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	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O
InChI	Nenurodyta

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

2 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.