EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H25N3O4S |
| Net Charge | 0 |
| Average Mass | 367.471 |
| Monoisotopic Mass | 367.15658 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O |
| InChI | InChI=1S/C17H25N3O4S/c1-10(2)14(17(23)24)20-16(22)13(9-25)19-15(21)12(18)8-11-6-4-3-5-7-11/h3-7,10,12-14,25H,8-9,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t12-,13-,14-/m0/s1 |
| InChIKey | OWCLJDXHHZUNEL-IHRRRGAJSA-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) |
| Phe-Cys-Val (CHEBI:161432) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylbutanoic acid |