EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H27N3O5S |
| Net Charge | 0 |
| Average Mass | 397.497 |
| Monoisotopic Mass | 397.16714 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C18H27N3O5S/c1-3-10(2)15(18(25)26)21-17(24)14(9-27)20-16(23)13(19)8-11-4-6-12(22)7-5-11/h4-7,10,13-15,22,27H,3,8-9,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t10-,13-,14-,15-/m0/s1 |
| InChIKey | WEFIPBYPXZYPHD-HJPIBITLSA-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-Cys-Ile (CHEBI:165021) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid |