N-L-alanyl-3-(((3-(aminocarbonyl)oxiranyl)carbonyl)amino)-L-alanine
| Internal ID | afecaadd-8ad2-4d7e-8873-792b7b044c1f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alanine and derivatives |
| IUPAC Name | [(2S)-2-aminopropanoyl] (2S)-2-amino-3-[[(2R,3R)-3-carbamoyloxirane-2-carbonyl]amino]propanoate |
| SMILES (Canonical) | CC(C(=O)OC(=O)C(CNC(=O)C1C(O1)C(=O)N)N)N |
| SMILES (Isomeric) | C[C@@H](C(=O)OC(=O)[C@H](CNC(=O)[C@H]1[C@@H](O1)C(=O)N)N)N |
| InChI | InChI=1S/C10H16N4O6/c1-3(11)9(17)20-10(18)4(12)2-14-8(16)6-5(19-6)7(13)15/h3-6H,2,11-12H2,1H3,(H2,13,15)(H,14,16)/t3-,4-,5+,6+/m0/s1 |
| InChI Key | ZJOXNGKKGAAFJU-UNTFVMJOSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C10H16N4O6 |
| Molecular Weight | 288.26 g/mol |
| Exact Mass | 288.10698424 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | -3.50 |
| [(2S)-2-aminopropanoyl] (2S)-2-amino-3-[[(2R,3R)-3-carbamoyloxirane-2-carbonyl]amino]propanoate |
| Sch-37137 |
| L-Alanine, N-L-alanyl-3-(((3-(aminocarbonyl)oxiranyl)carbonyl)amino)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.73% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.52% | 83.82% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 94.20% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.82% | 96.95% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.92% | 94.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 92.26% | 92.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.85% | 97.25% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.99% | 83.10% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 89.27% | 92.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.70% | 91.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.32% | 98.59% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.01% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.70% | 98.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.35% | 85.31% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.30% | 95.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.22% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.91% | 89.34% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.64% | 99.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.97% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.70% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.15% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.72% | 89.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.66% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.09% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 197244 |
| LOTUS | LTS0212753 |
| wikiData | Q76084778 |