EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C16H23N3O6S |
| Net Charge | 0 |
| Average Mass | 385.442 |
| Monoisotopic Mass | 385.13076 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C16H23N3O6S/c1-8(20)13(16(24)25)19-15(23)12(7-26)18-14(22)11(17)6-9-2-4-10(21)5-3-9/h2-5,8,11-13,20-21,26H,6-7,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t8-,11+,12+,13+/m1/s1 |
| InChIKey | UMXSDHPSMROQRB-YJRXYDGGSA-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-Thr (CHEBI:165028) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3R)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-hydroxybutanoic acid |