EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H23N3O4S |
| Net Charge | 0 |
| Average Mass | 353.444 |
| Monoisotopic Mass | 353.14093 |
| SMILES | CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)O |
| InChI | InChI=1S/C16H23N3O4S/c1-24-8-7-12(16(22)23)19-15(21)13(18-14(20)10-17)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t12-,13-/m0/s1 |
| InChIKey | MXIULRKNFSCJHT-STQMWFEESA-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) |
| Gly-Phe-Met (CHEBI:163933) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylsulanylbutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 57551853 | ChemSpider |