N,3-dimethyl-2-[methyl-[3-methyl-2-[[3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl(3-methylsulfanylprop-2-enoyl)amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide
| Internal ID | 627fdba1-fedc-401f-baa3-d731d0153a01 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | N,3-dimethyl-2-[methyl-[3-methyl-2-[[3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl(3-methylsulfanylprop-2-enoyl)amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide |
| SMILES (Canonical) | CCC(C)C(C(=O)NC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)N(C)C(=O)C(C)N(C)C(=O)C=CSC |
| SMILES (Isomeric) | CCC(C)C(C(=O)NC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)N(C)C(=O)C(C)N(C)C(=O)C=CSC |
| InChI | InChI=1S/C34H62N6O6S/c1-16-22(7)28(30(42)35-10)39(13)33(45)26(20(3)4)36-31(43)27(21(5)6)38(12)34(46)29(23(8)17-2)40(14)32(44)24(9)37(11)25(41)18-19-47-15/h18-24,26-29H,16-17H2,1-15H3,(H,35,42)(H,36,43) |
| InChI Key | SQFJGWYXJOVACU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H62N6O6S |
| Molecular Weight | 683.00 g/mol |
| Exact Mass | 682.44515489 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of N,3-dimethyl-2-[methyl-[3-methyl-2-[[3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl(3-methylsulfanylprop-2-enoyl)amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide](https://plantaedb.com/storage/docs/compounds/2023/11/462e3f90-858e-11ee-839d-91bb5592f255.jpg "2D Structure of N,3-dimethyl-2-[methyl-[3-methyl-2-[[3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl(3-methylsulfanylprop-2-enoyl)amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.57% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.84% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.21% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.82% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.82% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.49% | 98.75% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.82% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.05% | 94.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.67% | 93.67% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.78% | 96.47% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.33% | 97.21% |
| CHEMBL3308 | P55212 | Caspase-6 | 85.93% | 97.56% |
| CHEMBL3776 | Q14790 | Caspase-8 | 85.75% | 97.06% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.62% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.88% | 94.45% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.41% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.63% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.36% | 93.56% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 83.26% | 98.57% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.11% | 91.24% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.00% | 97.47% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.75% | 97.28% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.04% | 89.50% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 82.01% | 95.39% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.29% | 90.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.06% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.60% | 96.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.44% | 83.57% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.27% | 98.59% |
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 | 73240740 |
| LOTUS | LTS0023672 |
| wikiData | Q104197513 |