(2R,4R)-5-amino-2-[[(2R)-2-amino-3-hydroxy-3-[(3R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoyl]amino]-3,4-dihydroxypentanoic acid
| Internal ID | d607d48b-f149-4b54-9035-2d730539640f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2R,4R)-5-amino-2-[[(2R)-2-amino-3-hydroxy-3-[(3R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoyl]amino]-3,4-dihydroxypentanoic acid |
| SMILES (Canonical) | C1C2N(C1=O)CC(O2)C(C(C(=O)NC(C(C(CN)O)O)C(=O)O)N)O |
| SMILES (Isomeric) | C1[C@@H](OC2N1C(=O)C2)C([C@H](C(=O)N[C@H](C([C@@H](CN)O)O)C(=O)O)N)O |
| InChI | InChI=1S/C13H22N4O8/c14-2-4(18)10(20)9(13(23)24)16-12(22)8(15)11(21)5-3-17-6(19)1-7(17)25-5/h4-5,7-11,18,20-21H,1-3,14-15H2,(H,16,22)(H,23,24)/t4-,5-,7?,8-,9-,10?,11?/m1/s1 |
| InChI Key | XBWUFTNBJKUSQL-CPPZHNFSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H22N4O8 |
| Molecular Weight | 362.34 g/mol |
| Exact Mass | 362.14376367 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | -7.70 |
| There are no found synonyms. |
![2D Structure of (2R,4R)-5-amino-2-[[(2R)-2-amino-3-hydroxy-3-[(3R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoyl]amino]-3,4-dihydroxypentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b645e690-8449-11ee-a3ac-897b1fd6e5c6.jpg "2D Structure of (2R,4R)-5-amino-2-[[(2R)-2-amino-3-hydroxy-3-[(3R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoyl]amino]-3,4-dihydroxypentanoic 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 | 97.52% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.07% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.55% | 90.17% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 90.44% | 80.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.11% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.70% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.60% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.28% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.20% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.71% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.90% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.73% | 93.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.16% | 98.03% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.38% | 98.05% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.57% | 98.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.41% | 100.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 81.62% | 88.42% |
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 | 162895577 |
| LOTUS | LTS0075500 |
| wikiData | Q105324768 |