(S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid
| Internal ID | 1a95a7f1-d078-48d7-bf9a-7da47f0b730a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| SMILES (Isomeric) | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(C(=O)O)N |
| InChI | InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21) |
| InChI Key | XHHOHZPNYFQJKL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H18N2O5 |
| Molecular Weight | 294.30 g/mol |
| Exact Mass | 294.12157168 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -3.00 |
| 6810-81-7 |
| SCHEMBL161657 |
| CHEBI:82966 |
| DTXSID80864061 |
| AKOS040734535 |
| N-(1-Carboxy-2-phenylethyl)glutamine |
| FT-0773380 |
| Q27156504 |
| 2-amino-5-[(1-carboxy-2-phenylethyl)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 | 98.60% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.23% | 90.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.11% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.28% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.50% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.27% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.92% | 96.09% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 86.85% | 98.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.80% | 95.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.71% | 92.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.62% | 100.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.02% | 93.04% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.98% | 98.33% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 80.66% | 82.86% |
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.
| Allium cepa |
| Allium sativum |
| Vigna radiata |
| PubChem | 558649 |
| LOTUS | LTS0161892 |
| wikiData | Q27156504 |