EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30N4O6 |
| Net Charge | 0 |
| Average Mass | 422.482 |
| Monoisotopic Mass | 422.21653 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C20H30N4O6/c1-11(2)9-14(21)18(27)23-15(7-8-17(22)26)19(28)24-16(20(29)30)10-12-3-5-13(25)6-4-12/h3-6,11,14-16,25H,7-10,21H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t14-,15-,16-/m0/s1 |
| InChIKey | KUEVMUXNILMJTK-JYJNAYRXSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Leu-Gln-Tyr (CHEBI:159147) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8020851 | ChemSpider |