(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid
| Internal ID | fc070c9e-3f63-48b8-af7d-cb97c743fe55 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid |
| SMILES (Canonical) | CCC(=C)C(C(=O)O)NC(=O)CCC(C(=O)O)N |
| SMILES (Isomeric) | CCC(=C)[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| InChI | InChI=1S/C11H18N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h7,9H,2-5,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,9-/m0/s1 |
| InChI Key | VMFRAEJIZGHFMQ-CBAPKCEASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H18N2O5 |
| Molecular Weight | 258.27 g/mol |
| Exact Mass | 258.12157168 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | -2.30 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-4s-4-amino-4-carboxybutanoylamino-3-methylidenepentanoic-acid.jpg "2D Structure of (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.93% | 83.82% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.92% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.73% | 99.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.74% | 92.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.13% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.99% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.63% | 97.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.61% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.40% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.96% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.15% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.93% | 91.19% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.10% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.37% | 93.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.26% | 94.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.86% | 93.10% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.77% | 89.50% |
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.
| Philadelphus coronarius |
| PubChem | 162915946 |
| LOTUS | LTS0078725 |
| wikiData | Q105288964 |