EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H28N4O5 |
| Net Charge | 0 |
| Average Mass | 404.467 |
| Monoisotopic Mass | 404.20597 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C20H28N4O5/c1-11(2)7-14(21)18(26)24-17(10-25)19(27)23-16(20(28)29)8-12-9-22-15-6-4-3-5-13(12)15/h3-6,9,11,14,16-17,22,25H,7-8,10,21H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/t14-,16-,17-/m0/s1 |
| InChIKey | HWMQRQIFVGEAPH-XIRDDKMYSA-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-Ser-Trp (CHEBI:159514) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |