(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoic acid
| Internal ID | 9125ee05-9196-4c71-9ca6-917508472b4f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoic acid |
| SMILES (Canonical) | CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N |
| SMILES (Isomeric) | CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)N |
| InChI | InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20) |
| InChI Key | RFCVXVPWSPOMFJ-UHFFFAOYSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.35 g/mol |
| Exact Mass | 278.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 92.40 Ų |
| XlogP | -1.20 |
| Phenylalanyl-leucin |
| DIFRUCTOSEANHYDRIDEIII |
| SCHEMBL1396477 |
| RFCVXVPWSPOMFJ-UHFFFAOYSA-N |
| FT-0773000 |
![2D Structure of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-2s-2-amino-3-phenylpropanoylamino-4-methylpentanoic-acid.jpg "2D Structure of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-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 | 99.53% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.16% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.23% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.82% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.67% | 93.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.38% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.13% | 95.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.73% | 92.29% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.28% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.08% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.85% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.81% | 98.33% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 86.14% | 92.80% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.05% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.53% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.61% | 90.24% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.84% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.72% | 97.50% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.55% | 83.10% |
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.
| Arabidopsis thaliana |
| PubChem | 4078229 |
| LOTUS | LTS0141426 |
| wikiData | Q105235300 |