EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H25N3O5S |
| Net Charge | 0 |
| Average Mass | 431.514 |
| Monoisotopic Mass | 431.15149 |
| SMILES | N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C21H25N3O5S/c22-16(12-30)19(26)23-17(10-13-4-2-1-3-5-13)20(27)24-18(21(28)29)11-14-6-8-15(25)9-7-14/h1-9,16-18,25,30H,10-12,22H2,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1 |
| InChIKey | JEKIARHEWURQRJ-BZSNNMDCSA-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-Phe-Tyr (CHEBI:161615) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |