EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H21N3O5S |
| Net Charge | 0 |
| Average Mass | 355.416 |
| Monoisotopic Mass | 355.12019 |
| SMILES | C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)O |
| InChI | InChI=1S/C15H21N3O5S/c1-8(15(22)23)17-14(21)12(18-13(20)11(16)7-24)6-9-2-4-10(19)5-3-9/h2-5,8,11-12,19,24H,6-7,16H2,1H3,(H,17,21)(H,18,20)(H,22,23)/t8-,11-,12-/m0/s1 |
| InChIKey | KXHAPEPORGOXDT-UWJYBYFXSA-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) |
| Cys-Tyr-Ala (CHEBI:161780) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid |