N-[(2S)-3-hydroxy-1-[[(2R)-1-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
| Internal ID | 8d3d029d-f017-4476-a524-ae9c4ca7fb0b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | N-[(2S)-3-hydroxy-1-[[(2R)-1-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide |
| SMILES (Canonical) | CC(C)CC(=O)NC(CO)C(=O)NC(CC(=C)C)C(=O)C1(CO1)CO |
| SMILES (Isomeric) | CC(C)CC(=O)N[C@@H](CO)C(=O)N[C@H](CC(=C)C)C(=O)[C@@]1(CO1)CO |
| InChI | InChI=1S/C17H28N2O6/c1-10(2)5-12(15(23)17(8-21)9-25-17)19-16(24)13(7-20)18-14(22)6-11(3)4/h11-13,20-21H,1,5-9H2,2-4H3,(H,18,22)(H,19,24)/t12-,13+,17+/m1/s1 |
| InChI Key | SXWGOLIJFPVAOI-IGCXYCKISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H28N2O6 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of N-[(2S)-3-hydroxy-1-[[(2R)-1-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide](https://plantaedb.com/storage/docs/compounds/2023/11/isovaleryl-ser-d-leu45-dehydro-unk.jpg "2D Structure of N-[(2S)-3-hydroxy-1-[[(2R)-1-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide")
| 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 | 96.43% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.83% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.79% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.90% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 90.12% | 89.50% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.45% | 98.05% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.44% | 92.29% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.41% | 90.20% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 89.20% | 97.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.67% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.66% | 96.09% |
| CHEMBL3776 | Q14790 | Caspase-8 | 87.88% | 97.06% |
| CHEMBL3308 | P55212 | Caspase-6 | 87.30% | 97.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.25% | 94.66% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.17% | 95.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.92% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.85% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.08% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.93% | 91.07% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.05% | 96.90% |
| CHEMBL4801 | P29466 | Caspase-1 | 83.49% | 96.85% |
| CHEMBL3468 | P55210 | Caspase-7 | 83.15% | 95.68% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.42% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.34% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.26% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.13% | 98.75% |
| CHEMBL1801 | P00747 | Plasminogen | 81.95% | 92.44% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.64% | 93.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.34% | 97.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.07% | 95.38% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.01% | 99.35% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.00% | 95.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.68% | 89.34% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163106073 |
| LOTUS | LTS0094826 |
| wikiData | Q105263369 |