(2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid
| Internal ID | 14dc2c58-2a09-4940-af6b-2e3cbbb0ac3e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids |
| IUPAC Name | (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | CCC(C)CNC(=O)C(CC(C(=O)O)N)O |
| SMILES (Isomeric) | CC[C@H](C)CNC(=O)[C@H](C[C@@H](C(=O)O)N)O |
| InChI | InChI=1S/C10H20N2O4/c1-3-6(2)5-12-9(14)8(13)4-7(11)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)/t6-,7-,8-/m0/s1 |
| InChI Key | WTYNCKUPEBKPHK-FXQIFTODSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H20N2O4 |
| Molecular Weight | 232.28 g/mol |
| Exact Mass | 232.14230712 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | -2.60 |
| There are no found synonyms. |
![2D Structure of (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s4s-2-amino-4-hydroxy-5-2s-2-methylbutylamino-5-oxopentanoic-acid.jpg "2D Structure of (2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic 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 | 98.32% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.89% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.57% | 90.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 93.86% | 92.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.42% | 83.82% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.34% | 96.47% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.28% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.81% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.96% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.36% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.38% | 90.71% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.91% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.36% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.15% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.11% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.08% | 99.35% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.07% | 89.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.16% | 89.34% |
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.
| Hemerocallis fulva |
| PubChem | 162915432 |
| LOTUS | LTS0172416 |
| wikiData | Q105312870 |