(2S,3R)-2-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-3-hydroxybutanoic acid
| Internal ID | 4a92d5e2-5c51-48ad-a33f-15416d9be635 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids > N-acyl-L-alpha-amino acids |
| IUPAC Name | (2S,3R)-2-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-3-hydroxybutanoic acid |
| SMILES (Canonical) | CC(C(C(=O)O)NC(=O)C1CCC(=N1)N)O |
| SMILES (Isomeric) | C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCC(=N1)N)O |
| InChI | InChI=1S/C9H15N3O4/c1-4(13)7(9(15)16)12-8(14)5-2-3-6(10)11-5/h4-5,7,13H,2-3H2,1H3,(H2,10,11)(H,12,14)(H,15,16)/t4-,5+,7+/m1/s1 |
| InChI Key | ANGMEMGHOYIQDH-ZDLURKLDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H15N3O4 |
| Molecular Weight | 229.23 g/mol |
| Exact Mass | 229.10625597 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of (2S,3R)-2-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-3-hydroxybutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s3r-2-2s-5-amino-34-dihydro-2h-pyrrole-2-carbonylamino-3-hydroxybutanoic-acid.jpg "2D Structure of (2S,3R)-2-[[(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-3-hydroxybutanoic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.76% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.90% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.86% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.81% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.25% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.23% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.97% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.97% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.55% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 81.33% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.26% | 99.17% |
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 | 11579511 |
| LOTUS | LTS0205183 |
| wikiData | Q104915137 |