EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H27N5O5S |
| Net Charge | 0 |
| Average Mass | 449.533 |
| Monoisotopic Mass | 449.17329 |
| SMILES | CSCC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C20H27N5O5S/c1-31-7-6-16(20(29)30)24-19(28)17(9-13-10-22-11-23-13)25-18(27)15(21)8-12-2-4-14(26)5-3-12/h2-5,10-11,15-17,26H,6-9,21H2,1H3,(H,22,23)(H,24,28)(H,25,27)(H,29,30)/t15-,16-,17-/m0/s1 |
| InChIKey | NENACTSCXYHPOX-ULQDDVLXSA-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) |
| Tyr-His-Met (CHEBI:165103) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulanylbutanoic acid |