(E)-4-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic acid
| Internal ID | ab5cf87a-c865-44e8-a924-de3b8306cb7a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | (E)-4-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic acid |
| SMILES (Canonical) | CC(C)CC(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)C=CC(=O)O |
| SMILES (Isomeric) | CC(C)CC(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)/C=C/C(=O)O |
| InChI | InChI=1S/C22H39N9O6/c1-13(2)11-16(20(37)29-14(12-32)5-3-9-27-21(23)24)31-19(36)15(6-4-10-28-22(25)26)30-17(33)7-8-18(34)35/h7-8,12-16H,3-6,9-11H2,1-2H3,(H,29,37)(H,30,33)(H,31,36)(H,34,35)(H4,23,24,27)(H4,25,26,28)/b8-7+ |
| InChI Key | JEMQVKFJKHWGJB-BQYQJAHWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H39N9O6 |
| Molecular Weight | 525.60 g/mol |
| Exact Mass | 525.30233000 g/mol |
| Topological Polar Surface Area (TPSA) | 271.00 Ų |
| XlogP | -2.30 |
| 141426-89-3 |
| RefChem:930810 |
| L-Leucinamide, N2-(3-carboxy-1-oxo-2-propenyl)-L-arginyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (S-(E))- |
| Ro-09-1679 |
| CHEBI:218869 |
| (E)-4-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic acid |
![2D Structure of (E)-4-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/fc2fc960-85f9-11ee-9c86-91967603a969.jpg "2D Structure of (E)-4-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobut-2-enoic 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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 99.90% | 96.61% |
| CHEMBL4072 | P07858 | Cathepsin B | 98.74% | 93.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.88% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.46% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.91% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.89% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.84% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.10% | 96.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 90.80% | 98.05% |
| CHEMBL4801 | P29466 | Caspase-1 | 90.77% | 96.85% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.75% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.67% | 94.45% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.65% | 100.00% |
| CHEMBL1801 | P00747 | Plasminogen | 88.46% | 92.44% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.77% | 98.10% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.26% | 97.64% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.02% | 100.00% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 86.39% | 96.67% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.28% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.27% | 90.71% |
| CHEMBL268 | P43235 | Cathepsin K | 86.00% | 96.85% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.28% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.93% | 93.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 84.58% | 93.04% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.17% | 97.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.08% | 99.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.97% | 95.56% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.87% | 97.06% |
| CHEMBL5028 | O14672 | ADAM10 | 82.70% | 97.50% |
| CHEMBL3308 | P55212 | Caspase-6 | 81.08% | 97.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.67% | 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.
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| There are no matching plants. |
| PubChem | 139586248 |
| LOTUS | LTS0082455 |
| wikiData | Q77502299 |