EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H25N3O6S |
| Net Charge | 0 |
| Average Mass | 399.469 |
| Monoisotopic Mass | 399.14641 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O |
| InChI | InChI=1S/C17H25N3O6S/c1-27-7-6-13(16(24)20-14(9-21)17(25)26)19-15(23)12(18)8-10-2-4-11(22)5-3-10/h2-5,12-14,21-22H,6-9,18H2,1H3,(H,19,23)(H,20,24)(H,25,26)/t12-,13-,14-/m0/s1 |
| InChIKey | OGPKMBOPMDTEDM-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) |
| Tyr-Met-Ser (CHEBI:165910) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-hydroxypropanoic acid |