[(2S,3S)-1-[[(2S)-1-[(2S)-2-[(2S)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
| Internal ID | 00d624ac-ae85-4271-968d-d7607a29ea96 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | [(2S,3S)-1-[[(2S)-1-[(2S)-2-[(2S)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H56N4O8/c1-13-22(8)30(46-34(44)25(17-19(2)3)35(10)23(9)39)33(43)36(11)29(21(6)7)32(42)37-16-14-15-24(37)31(41)38-27(40)18-26(45-12)28(38)20(4)5/h18-22,24-25,28-30H,13-17H2,1-12H3/t22-,24-,25-,28-,29-,30-/m0/s1 |
| InChI Key | VMCRBPTYWASLCC-BRGZBJAMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H56N4O8 |
| Molecular Weight | 648.80 g/mol |
| Exact Mass | 648.40981476 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [(2S,3S)-1-[[(2S)-1-[(2S)-2-[(2S)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/ac-nmeleu-oile-nmeval-pro-unk.jpg "2D Structure of [(2S,3S)-1-[[(2S)-1-[(2S)-2-[(2S)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate")
| 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 | 99.63% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.34% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.21% | 97.25% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.05% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.16% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.95% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.63% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.02% | 90.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.02% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.94% | 99.18% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.88% | 98.10% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.72% | 94.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.09% | 95.89% |
| CHEMBL204 | P00734 | Thrombin | 86.87% | 96.01% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.33% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.15% | 97.14% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 85.87% | 90.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.11% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.84% | 90.08% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.52% | 96.25% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.80% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.40% | 93.56% |
| CHEMBL268 | P43235 | Cathepsin K | 83.08% | 96.85% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.06% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.89% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.69% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.33% | 90.17% |
| CHEMBL3691 | Q13822 | Autotaxin | 81.63% | 96.39% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.02% | 90.24% |
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 | 102469896 |
| LOTUS | LTS0091777 |
| wikiData | Q105288907 |