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| Formula | C16H21N3O8 |
| Net Charge | 0 |
| Average Mass | 383.357 |
| Monoisotopic Mass | 383.13286 |
| SMILES | N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O |
| InChI | InChI=1S/C16H21N3O8/c17-10(5-8-1-3-9(21)4-2-8)14(24)18-11(6-13(22)23)15(25)19-12(7-20)16(26)27/h1-4,10-12,20-21H,5-7,17H2,(H,18,24)(H,19,25)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 |
| InChIKey | VFJIWSJKZJTQII-SRVKXCTJSA-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-Asp-Ser (CHEBI:165007) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (3S)-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid |