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| Formula | C17H22N4O5S |
| Net Charge | 0 |
| Average Mass | 394.453 |
| Monoisotopic Mass | 394.13109 |
| SMILES | N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O |
| InChI | InChI=1S/C17H22N4O5S/c18-11(5-9-6-19-12-4-2-1-3-10(9)12)15(23)21-14(8-27)16(24)20-13(7-22)17(25)26/h1-4,6,11,13-14,19,22,27H,5,7-8,18H2,(H,20,24)(H,21,23)(H,25,26)/t11-,13-,14-/m0/s1 |
| InChIKey | JZHJLBPBQKPTNX-UBHSHLNASA-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) |
| Trp-Cys-Ser (CHEBI:164584) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-hydroxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 28497421 | ChemSpider |