EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H25N3O8 |
| Net Charge | 0 |
| Average Mass | 411.411 |
| Monoisotopic Mass | 411.16416 |
| SMILES | C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C18H25N3O8/c1-9(22)15(19)17(27)20-12(6-7-14(24)25)16(26)21-13(18(28)29)8-10-2-4-11(23)5-3-10/h2-5,9,12-13,15,22-23H,6-8,19H2,1H3,(H,20,27)(H,21,26)(H,24,25)(H,28,29)/t9-,12+,13+,15+/m1/s1 |
| InChIKey | LKEKWDJCJSPXNI-IRIUXVKKSA-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-Glu-Tyr (CHEBI:163884) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 57263863 | ChemSpider |