[(1R)-1-benzamido-2-phenylethyl] (2S)-2-benzamido-3-phenylpropanoate
| Internal ID | 12599f61-3307-452a-a4fd-f593a143e20e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Phenylalanine and derivatives |
| IUPAC Name | [(1R)-1-benzamido-2-phenylethyl] (2S)-2-benzamido-3-phenylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H28N2O4/c34-29(25-17-9-3-10-18-25)32-27(21-23-13-5-1-6-14-23)31(36)37-28(22-24-15-7-2-8-16-24)33-30(35)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2,(H,32,34)(H,33,35)/t27-,28+/m0/s1 |
| InChI Key | PBIVFLDZTAUHSL-WUFINQPMSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C31H28N2O4 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 84.50 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of [(1R)-1-benzamido-2-phenylethyl] (2S)-2-benzamido-3-phenylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r-1-benzamido-2-phenylethyl-2s-2-benzamido-3-phenylpropanoate.jpg "2D Structure of [(1R)-1-benzamido-2-phenylethyl] (2S)-2-benzamido-3-phenylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.48% | 90.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.16% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.11% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.10% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 91.36% | 89.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.21% | 99.17% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 88.70% | 96.67% |
| CHEMBL240 | Q12809 | HERG | 88.13% | 89.76% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 86.60% | 87.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.30% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.09% | 94.23% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.04% | 93.04% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.34% | 98.75% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 80.87% | 98.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.72% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162945123 |
| LOTUS | LTS0079525 |
| wikiData | Q105205220 |