EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H22N4O4S2 |
| Net Charge | 0 |
| Average Mass | 410.521 |
| Monoisotopic Mass | 410.10825 |
| SMILES | N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O |
| InChI | InChI=1S/C17H22N4O4S2/c18-11(5-9-6-19-12-4-2-1-3-10(9)12)15(22)20-13(7-26)16(23)21-14(8-27)17(24)25/h1-4,6,11,13-14,19,26-27H,5,7-8,18H2,(H,20,22)(H,21,23)(H,24,25)/t11-,13-,14-/m0/s1 |
| InChIKey | PKZVWAGGKFAVKR-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-Cys (CHEBI:164562) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2R)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-sulanylpropanoic acid |