2-[[5-(diaminomethylideneamino)-1-[[3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
| Internal ID | 15eb99dd-ba2a-45d9-badf-14544991db74 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[[5-(diaminomethylideneamino)-1-[[3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H41N7O7/c1-18(2)25(27(41)34-21(17-38)15-19-7-4-3-5-8-19)37-26(40)23(9-6-14-33-29(31)32)35-30(44)36-24(28(42)43)16-20-10-12-22(39)13-11-20/h3-5,7-8,10-13,17-18,21,23-25,39H,6,9,14-16H2,1-2H3,(H,34,41)(H,37,40)(H,42,43)(H4,31,32,33)(H2,35,36,44)/t21-,23?,24?,25?/m0/s1 |
| InChI Key | DYNPEHYVIZVLIF-VJUVZTAMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H41N7O7 |
| Molecular Weight | 611.70 g/mol |
| Exact Mass | 611.30674667 g/mol |
| Topological Polar Surface Area (TPSA) | 238.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 2-[[5-(diaminomethylideneamino)-1-[[3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/9f272b50-83f8-11ee-a373-575414370f9c.jpg "2D Structure of 2-[[5-(diaminomethylideneamino)-1-[[3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic 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 |
|---|---|---|---|---|
| CHEMBL4072 | P07858 | Cathepsin B | 99.90% | 93.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.55% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.89% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.25% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 96.70% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.05% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.49% | 91.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 95.23% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.93% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.62% | 90.20% |
| CHEMBL3891 | P07384 | Calpain 1 | 93.54% | 93.04% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 92.24% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.94% | 95.50% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.47% | 97.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.48% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.29% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.84% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.48% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.35% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.85% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.02% | 100.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.63% | 97.53% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.41% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.87% | 94.73% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 80.78% | 97.88% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 80.63% | 93.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.25% | 86.33% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.13% | 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.
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| There are no matching plants. |
| PubChem | 139586807 |
| LOTUS | LTS0084281 |
| wikiData | Q77515001 |