EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C17H23N3O7S |
| Net Charge | 0 |
| Average Mass | 413.452 |
| Monoisotopic Mass | 413.12567 |
| SMILES | N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C17H23N3O7S/c18-11(5-6-14(22)23)15(24)20-13(8-28)16(25)19-12(17(26)27)7-9-1-3-10(21)4-2-9/h1-4,11-13,21,28H,5-8,18H2,(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t11-,12-,13-/m0/s1 |
| InChIKey | KIMXNQXJJWWVIN-AVGNSLFASA-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) |
| Glu-Cys-Tyr (CHEBI:162835) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (4S)-4-amino-5-[[(2R)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-5-oxopentanoic acid |