EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H30N4O4S2 |
| Net Charge | 0 |
| Average Mass | 466.629 |
| Monoisotopic Mass | 466.17085 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C21H30N4O4S2/c1-30-9-7-17(20(27)25-18(21(28)29)8-10-31-2)24-19(26)15(22)11-13-12-23-16-6-4-3-5-14(13)16/h3-6,12,15,17-18,23H,7-11,22H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t15-,17-,18-/m0/s1 |
| InChIKey | ABEVJDLMFPTGPS-SZMVWBNQSA-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-Met-Met (CHEBI:164785) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-4-methylsulanylbutanoic acid |