(2R)-2-[[(2S)-2-acetamido-5-[formyl(hydroxy)amino]pentanoyl]amino]-5-(diaminomethylideneamino)-N-[3-[(2S,5S)-5-[3-[formyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxypentanamide
| Internal ID | e062b112-a37e-43ff-97a4-82d33a298b47 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2R)-2-[[(2S)-2-acetamido-5-[formyl(hydroxy)amino]pentanoyl]amino]-5-(diaminomethylideneamino)-N-[3-[(2S,5S)-5-[3-[formyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxypentanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H44N10O10/c1-16(38)29-17(7-3-11-33(43)14-36)21(39)32-20(6-2-10-28-25(26)27)24(42)35(45)13-5-9-19-23(41)30-18(22(40)31-19)8-4-12-34(44)15-37/h14-15,17-20,43-45H,2-13H2,1H3,(H,29,38)(H,30,41)(H,31,40)(H,32,39)(H4,26,27,28)/t17-,18-,19-,20+/m0/s1 |
| InChI Key | IFMRYYCIFWWPAK-LWYYNNOASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H44N10O10 |
| Molecular Weight | 644.70 g/mol |
| Exact Mass | 644.32418764 g/mol |
| Topological Polar Surface Area (TPSA) | 302.00 Ų |
| XlogP | -4.10 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[[(2S)-2-acetamido-5-[formyl(hydroxy)amino]pentanoyl]amino]-5-(diaminomethylideneamino)-N-[3-[(2S,5S)-5-[3-[formyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxypentanamide](https://plantaedb.com/storage/docs/compounds/2023/11/ca34ade0-8796-11ee-a233-93cce35b193e.jpg "2D Structure of (2R)-2-[[(2S)-2-acetamido-5-[formyl(hydroxy)amino]pentanoyl]amino]-5-(diaminomethylideneamino)-N-[3-[(2S,5S)-5-[3-[formyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxypentanamide")
| 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 | 98.83% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.32% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.36% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.07% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.92% | 90.08% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 91.79% | 95.38% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 90.94% | 98.05% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.44% | 83.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.09% | 95.56% |
| CHEMBL2185 | Q96GD4 | Serine/threonine-protein kinase Aurora-B | 88.40% | 96.80% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.83% | 93.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.71% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.69% | 94.66% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.19% | 91.19% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.95% | 98.59% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.74% | 98.33% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 86.40% | 88.42% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.01% | 95.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.99% | 89.34% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.49% | 99.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.10% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.96% | 96.90% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.85% | 97.64% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.88% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.27% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.73% | 92.88% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.03% | 95.89% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 82.00% | 99.52% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.38% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.84% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 80.42% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.21% | 100.00% |
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 | 163109648 |
| LOTUS | LTS0095160 |
| wikiData | Q105112248 |