2D structurePubChem CID 12882026
Tunnistetiedot
7-Mac
Ei ilmoitettu · C24H24N6O4S2
01Tunnistetiedot
| Lazychem ID | LC-45061 |
|---|---|
| CAS RN | Ei ilmoitettu |
| PubChem CID | 12882026 |
| Molecular formula | C24H24N6O4S2 |
| Molecular weight | 524.6 g/mol |
| IUPAC name | benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChIKey | QGXKMJVEULWQSB-VWNXMTODSA-N |
02Rakenne ja stereokemia
2D structurePubChem CID 12882026
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)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5 |
|---|---|
| InChI | Ei ilmoitettu |
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
2 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 12882027
![Two-dimensional chemical structure of Benzhydryl (6R,7S)-7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate](/structures/pubchem/12882027-300.png)
Benzhydryl (6R,7S)-7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS not listed
QGXKMJVEULWQSB-ISKFKSNPSA-N
2 defined, 0 unassigned centres
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Tila Intiassa
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nimet ja suhteet
API ja emolääke
Ei ilmoitettu
Nimet ja suhteet
06Lähteet
- S01PubChem CID 12882026
Structure and machine-readable chemical identifiers.