2-[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-N-[2-[[1-[[1-[[1-[3-(4-aminobutylamino)propylamino]-3-phenylpropan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-methylbutanamide
| Internal ID | 420d9dce-4a77-4319-8e39-97d5a17d2af3 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 2-[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-N-[2-[[1-[[1-[[1-[3-(4-aminobutylamino)propylamino]-3-phenylpropan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-methylbutanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C60H92N12O9/c1-11-58(8,69-50(75)41(4)65-53(78)57(6,7)72-56(81)60(10,13-3)71-51(76)47(66-42(5)73)37-44-28-19-15-20-29-44)54(79)64-40-49(74)68-48(38-45-30-21-16-22-31-45)52(77)70-59(9,12-2)55(80)67-46(36-43-26-17-14-18-27-43)39-63-35-25-34-62-33-24-23-32-61/h14-22,26-31,41,46-48,62-63H,11-13,23-25,32-40,61H2,1-10H3,(H,64,79)(H,65,78)(H,66,73)(H,67,80)(H,68,74)(H,69,75)(H,70,77)(H,71,76)(H,72,81) |
| InChI Key | RNBLAEPFMPJRIZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C60H92N12O9 |
| Molecular Weight | 1125.40 g/mol |
| Exact Mass | 1124.71102256 g/mol |
| Topological Polar Surface Area (TPSA) | 312.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 2-[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-N-[2-[[1-[[1-[[1-[3-(4-aminobutylamino)propylamino]-3-phenylpropan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-methylbutanamide](https://plantaedb.com/storage/docs/compounds/2023/11/ac-dl-phe-dl-iva-aib-dl-ala-dl-iva-gly-dl-phe-dl-iva-unk.jpg "2D Structure of 2-[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylbutanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-N-[2-[[1-[[1-[[1-[3-(4-aminobutylamino)propylamino]-3-phenylpropan-2-yl]amino]-2-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-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 | 99.84% | 98.95% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.25% | 97.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 96.03% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.01% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.65% | 97.29% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 94.46% | 95.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.48% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.39% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.35% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.96% | 90.20% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 92.74% | 96.67% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 92.64% | 89.33% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.31% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.07% | 95.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.73% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.65% | 94.45% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 88.59% | 86.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.02% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.48% | 97.14% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 86.42% | 96.28% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.41% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.02% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.37% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.65% | 98.75% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.37% | 95.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.17% | 93.04% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.78% | 80.00% |
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 | 85246870 |
| LOTUS | LTS0215652 |
| wikiData | Q104196762 |