EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H27N3O6S |
| Net Charge | 0 |
| Average Mass | 413.496 |
| Monoisotopic Mass | 413.16206 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C18H27N3O6S/c1-10(22)15(19)17(25)20-13(7-8-28-2)16(24)21-14(18(26)27)9-11-3-5-12(23)6-4-11/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,25)(H,21,24)(H,26,27)/t10-,13+,14+,15+/m1/s1 |
| InChIKey | FDQXPJCLVPFKJW-KJEVXHAQSA-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) |
| Thr-Met-Tyr (CHEBI:164124) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |