(2S)-2-[[(2S)-2,5-diamino-3,4-dihydroxypentanoyl]amino]-3-hydroxy-3-[(3R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid
| Internal ID | 2d30ad59-b356-487e-ae43-506be96c94a3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-2-[[(2S)-2,5-diamino-3,4-dihydroxypentanoyl]amino]-3-hydroxy-3-[(3R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H22N4O8/c14-2-4(18)10(20)8(15)12(22)16-9(13(23)24)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 | ISKGECSIKHPJAO-XMCORSOCSA-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 (2S)-2-[[(2S)-2,5-diamino-3,4-dihydroxypentanoyl]amino]-3-hydroxy-3-[(3R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/66b9bf30-8736-11ee-ab68-4b5006b5640e.jpg "2D Structure of (2S)-2-[[(2S)-2,5-diamino-3,4-dihydroxypentanoyl]amino]-3-hydroxy-3-[(3R)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic 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 | 96.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.66% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.45% | 85.14% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.11% | 95.58% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 91.61% | 80.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.18% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.44% | 90.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.82% | 98.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.52% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.03% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.20% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.65% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.86% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.71% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.61% | 98.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.93% | 98.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.31% | 100.00% |
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 | 162949151 |
| LOTUS | LTS0134335 |
| wikiData | Q105119600 |