Me-DL-Val-DL-Val-DL-N(Me)Val-DL-N(Me)Val-DL-N(Me)Val-DL-N(Me)Phe-DL-N(Me)Val-NH2
| Internal ID | b40a5b48-7bef-46c7-bba9-e98df03216b8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | N-[1-[[1-[[1-[[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide |
| SMILES (Canonical) | CC(C)C(C(=O)NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N)NC |
| SMILES (Isomeric) | CC(C)C(C(=O)NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N)NC |
| InChI | InChI=1S/C45H78N8O7/c1-25(2)33(47-13)40(55)48-34(26(3)4)42(57)51(16)37(29(9)10)44(59)53(18)38(30(11)12)45(60)52(17)36(28(7)8)43(58)49(14)32(24-31-22-20-19-21-23-31)41(56)50(15)35(27(5)6)39(46)54/h19-23,25-30,32-38,47H,24H2,1-18H3,(H2,46,54)(H,48,55) |
| InChI Key | BDXNKPNARQXXCN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C45H78N8O7 |
| Molecular Weight | 843.10 g/mol |
| Exact Mass | 842.59934686 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
| 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 | 99.34% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.56% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 94.65% | 90.24% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.49% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.76% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.76% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.62% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.73% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.64% | 95.50% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.54% | 96.61% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.71% | 96.37% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.50% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 82.03% | 97.50% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.81% | 89.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.75% | 90.20% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.72% | 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 | 162814879 |
| LOTUS | LTS0112430 |
| wikiData | Q103816664 |