2-[[2-[(3-Amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
| Internal ID | 5b4692e3-7b7a-49ab-b570-989047e84ddd |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid |
| SMILES (Canonical) | CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O |
| SMILES (Isomeric) | CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O |
| InChI | InChI=1S/C20H31N3O5/c1-11(2)15(18(25)23-16(12(3)4)20(27)28)22-19(26)17(24)14(21)10-13-8-6-5-7-9-13/h5-9,11-12,14-17,24H,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28) |
| InChI Key | FHMZBXQUBYDSAZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H31N3O5 |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.22637110 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 2-[[2-[(3-Amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-3-amino-2-hydroxy-4-phenylbutanoylamino-3-methylbutanoylamino-3-methylbutanoic-acid.jpg "2D Structure of 2-[[2-[(3-Amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic 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 | 99.28% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.10% | 90.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 94.73% | 93.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.78% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.33% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.77% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.45% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.22% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.58% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.38% | 83.82% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.22% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.03% | 95.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.57% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.26% | 91.11% |
| CHEMBL3308 | P55212 | Caspase-6 | 82.53% | 97.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.58% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.77% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.49% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.48% | 97.50% |
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 | 101536046 |
| LOTUS | LTS0068268 |
| wikiData | Q104995350 |