EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H23N5O5S |
| Net Charge | 0 |
| Average Mass | 421.479 |
| Monoisotopic Mass | 421.14199 |
| SMILES | N[C@@H](Cc1cncn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C18H23N5O5S/c19-13(6-11-7-20-9-21-11)16(25)23-15(8-29)17(26)22-14(18(27)28)5-10-1-3-12(24)4-2-10/h1-4,7,9,13-15,24,29H,5-6,8,19H2,(H,20,21)(H,22,26)(H,23,25)(H,27,28)/t13-,14-,15-/m0/s1 |
| InChIKey | WOAMZMXCLBBQKW-KKUMJFAQSA-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) |
| His-Cys-Tyr (CHEBI:164384) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |