Methyl 1-[2-[[2-[[2-[[5-amino-2-[[2-[(2-hydroxy-3-methylpentanoyl)amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
| Internal ID | 3d91daff-5854-437e-8a05-45ac544334de |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | methyl 1-[2-[[2-[[2-[[5-amino-2-[[2-[(2-hydroxy-3-methylpentanoyl)amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H67N7O10/c1-10-26(5)35(46-37(53)30(19-20-33(43)50)48(8)40(56)29(22-25(3)4)45-39(55)36(52)27(6)11-2)38(54)44-24-34(51)47(7)32(23-28-16-13-12-14-17-28)41(57)49-21-15-18-31(49)42(58)59-9/h12-14,16-17,25-27,29-32,35-36,52H,10-11,15,18-24H2,1-9H3,(H2,43,50)(H,44,54)(H,45,55)(H,46,53) |
| InChI Key | LNEYJLFOLWPLKO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H67N7O10 |
| Molecular Weight | 830.00 g/mol |
| Exact Mass | 829.49494136 g/mol |
| Topological Polar Surface Area (TPSA) | 238.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of Methyl 1-[2-[[2-[[2-[[5-amino-2-[[2-[(2-hydroxy-3-methylpentanoyl)amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/d425db10-8753-11ee-bf66-7dcf9595e638.jpg "2D Structure of Methyl 1-[2-[[2-[[2-[[5-amino-2-[[2-[(2-hydroxy-3-methylpentanoyl)amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate")
| 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 | 99.95% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.60% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.53% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.31% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 97.93% | 98.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.95% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.87% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.63% | 97.64% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 94.39% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.83% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.26% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.98% | 95.89% |
| CHEMBL204 | P00734 | Thrombin | 92.24% | 96.01% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 92.14% | 98.24% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.03% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.91% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.56% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.94% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.81% | 90.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.44% | 93.67% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.29% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.54% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.79% | 93.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.10% | 91.81% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 87.05% | 95.52% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.65% | 95.89% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 86.52% | 96.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.19% | 90.71% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 84.50% | 92.17% |
| CHEMBL5028 | O14672 | ADAM10 | 82.63% | 97.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.21% | 96.47% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 81.67% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.91% | 96.37% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.55% | 98.10% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.48% | 82.38% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.41% | 95.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.21% | 90.20% |
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 | 73837282 |
| LOTUS | LTS0133588 |
| wikiData | Q104171122 |