EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H28N4O5S |
| Net Charge | 0 |
| Average Mass | 412.512 |
| Monoisotopic Mass | 412.17804 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C18H28N4O5S/c19-8-2-1-3-14(21-16(24)13(20)10-28)17(25)22-15(18(26)27)9-11-4-6-12(23)7-5-11/h4-7,13-15,23,28H,1-3,8-10,19-20H2,(H,21,24)(H,22,25)(H,26,27)/t13-,14-,15-/m0/s1 |
| InChIKey | JUUMIGUJJRFQQR-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) |
| Cys-Lys-Tyr (CHEBI:161538) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |