benzyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-[2-(4-phenylmethoxyphenyl)hydrazinyl]pentanoate
| Internal ID | 46ef1a8d-d100-4524-b142-14e8937d8ac3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | benzyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-[2-(4-phenylmethoxyphenyl)hydrazinyl]pentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H33N3O6/c37-31(36-35-28-16-18-29(19-17-28)40-22-25-10-4-1-5-11-25)21-20-30(32(38)41-23-26-12-6-2-7-13-26)34-33(39)42-24-27-14-8-3-9-15-27/h1-19,30,35H,20-24H2,(H,34,39)(H,36,37)/t30-/m0/s1 |
| InChI Key | DWZCLQMRHOJBPC-PMERELPUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H33N3O6 |
| Molecular Weight | 567.60 g/mol |
| Exact Mass | 567.23693578 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of benzyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-[2-(4-phenylmethoxyphenyl)hydrazinyl]pentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/benzyl-2s-5-oxo-2-phenylmethoxycarbonylamino-5-2-4-phenylmethoxyphenylhydrazinylpentanoate.jpg "2D Structure of benzyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-[2-(4-phenylmethoxyphenyl)hydrazinyl]pentanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.09% | 99.17% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 97.24% | 92.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.52% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.29% | 94.62% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.71% | 92.51% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.00% | 85.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.59% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.21% | 97.64% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.72% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.45% | 98.75% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.87% | 94.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.03% | 98.95% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.76% | 97.53% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.71% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.50% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.15% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.10% | 100.00% |
| CHEMBL3761 | Q9HCG7 | Beta-glucosidase | 81.91% | 99.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.72% | 99.15% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.67% | 93.81% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.33% | 96.00% |
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 | 49863077 |
| LOTUS | LTS0222090 |
| wikiData | Q104990867 |