(2S)-2-[2-(1-carboxyethylamino)ethylamino]-6-[(3-carboxy-3-hydroxypropanoyl)amino]hexanoic acid
| Internal ID | 29c48ef9-f5bd-4e2b-b4a9-124e62090d4d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alanine and derivatives |
| IUPAC Name | (2S)-2-[2-(1-carboxyethylamino)ethylamino]-6-[(3-carboxy-3-hydroxypropanoyl)amino]hexanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H27N3O8/c1-9(13(21)22)16-6-7-17-10(14(23)24)4-2-3-5-18-12(20)8-11(19)15(25)26/h9-11,16-17,19H,2-8H2,1H3,(H,18,20)(H,21,22)(H,23,24)(H,25,26)/t9?,10-,11?/m0/s1 |
| InChI Key | WLQOWIYGAYASCA-YVNMAJEFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H27N3O8 |
| Molecular Weight | 377.39 g/mol |
| Exact Mass | 377.17981483 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | -6.30 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[2-(1-carboxyethylamino)ethylamino]-6-[(3-carboxy-3-hydroxypropanoyl)amino]hexanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-2-1-carboxyethylaminoethylamino-6-3-carboxy-3-hydroxypropanoylaminohexanoic-acid.jpg "2D Structure of (2S)-2-[2-(1-carboxyethylamino)ethylamino]-6-[(3-carboxy-3-hydroxypropanoyl)amino]hexanoic 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 | 98.75% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.11% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.98% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.49% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.70% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.82% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.23% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.86% | 92.29% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.32% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.31% | 91.11% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.94% | 85.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.82% | 90.71% |
| CHEMBL3776 | Q14790 | Caspase-8 | 84.87% | 97.06% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.54% | 96.47% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.42% | 98.33% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.38% | 98.05% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.06% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.78% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.34% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.36% | 93.56% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.32% | 95.93% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.24% | 97.23% |
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 | 90478273 |
| LOTUS | LTS0070386 |
| wikiData | Q105308164 |