2-[[2-[(3-Amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
| Internal ID | 12c906e8-c95f-423c-9015-affde9ef3c86 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[2-[(3-amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(CC1=CC=CC=C1)N)O |
| SMILES (Isomeric) | CCC(C)C(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(CC1=CC=CC=C1)N)O |
| InChI | InChI=1S/C21H33N3O5/c1-5-13(4)17(21(28)29)24-19(26)16(12(2)3)23-20(27)18(25)15(22)11-14-9-7-6-8-10-14/h6-10,12-13,15-18,25H,5,11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29) |
| InChI Key | PBLYJNWLOXWSSP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H33N3O5 |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.24202116 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 2-[[2-[(3-Amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-3-amino-2-hydroxy-4-phenylbutanoylamino-3-methylbutanoylamino-3-methylpentanoic-acid.jpg "2D Structure of 2-[[2-[(3-Amino-2-hydroxy-4-phenylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoic 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 | 99.48% | 98.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 97.78% | 93.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.09% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.87% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.04% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.82% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.82% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.42% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.88% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.49% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.26% | 90.20% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.68% | 97.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.24% | 90.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.19% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.85% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.17% | 90.00% |
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 | 60163070 |
| LOTUS | LTS0077177 |
| wikiData | Q105205283 |