EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C16H22N4O6S |
| Net Charge | 0 |
| Average Mass | 398.441 |
| Monoisotopic Mass | 398.12601 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChI | InChI=1S/C16H22N4O6S/c17-10(6-13(18)22)14(23)20-12(7-27)15(24)19-11(16(25)26)5-8-1-3-9(21)4-2-8/h1-4,10-12,21,27H,5-7,17H2,(H2,18,22)(H,19,24)(H,20,23)(H,25,26)/t10-,11-,12-/m0/s1 |
| InChIKey | CZIXHXIJJZLYRJ-SRVKXCTJSA-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) |
| Asn-Cys-Tyr (CHEBI:159670) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-sulanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |