(6R)-3-(2-acetamidoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
| Internal ID | 744e9d13-f145-4a75-8494-950d06c085e6 |
| Taxonomy | Organoheterocyclic compounds > Lactams > Beta lactams > Carbapenems |
| IUPAC Name | (6R)-3-(2-acetamidoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H18N2O4S/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17/h8-9H,3-6H2,1-2H3,(H,14,16)(H,18,19)/t8-,9?/m1/s1 |
| InChI Key | MHSNTZYKSLYGOM-VEDVMXKPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H18N2O4S |
| Molecular Weight | 298.36 g/mol |
| Exact Mass | 298.09872823 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (6R)-3-(2-acetamidoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6r-3-2-acetamidoethylsulfanyl-6-ethyl-7-oxo-1-azabicyclo320hept-2-ene-2-carboxylic-acid.jpg "2D Structure of (6R)-3-(2-acetamidoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.80% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.11% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.56% | 85.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.41% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.08% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.36% | 98.59% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.23% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.48% | 94.42% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.07% | 96.90% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 80.50% | 93.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.41% | 87.67% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 11779433 |
| LOTUS | LTS0125871 |
| wikiData | Q105164078 |