EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H25N3O6S |
| Net Charge | 0 |
| Average Mass | 447.513 |
| Monoisotopic Mass | 447.14641 |
| SMILES | N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C21H25N3O6S/c22-16(9-12-1-5-14(25)6-2-12)19(27)24-18(11-31)20(28)23-17(21(29)30)10-13-3-7-15(26)8-4-13/h1-8,16-18,25-26,31H,9-11,22H2,(H,23,28)(H,24,27)(H,29,30)/t16-,17-,18-/m0/s1 |
| InChIKey | BODHJXJNRVRKFA-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) |
| Tyr-Cys-Tyr (CHEBI:165030) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |