EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H27N3O5S |
| Net Charge | 0 |
| Average Mass | 397.497 |
| Monoisotopic Mass | 397.16714 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
| InChI | InChI=1S/C18H27N3O5S/c1-11(22)15(18(25)26)21-17(24)14(10-12-6-4-3-5-7-12)20-16(23)13(19)8-9-27-2/h3-7,11,13-15,22H,8-10,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t11-,13+,14+,15+/m1/s1 |
| InChIKey | LQTGGXSOMDSWTQ-UNQGMJICSA-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) |
| Met-Phe-Thr (CHEBI:160998) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid |