EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H33N5O4S |
| Net Charge | 0 |
| Average Mass | 463.604 |
| Monoisotopic Mass | 463.22533 |
| SMILES | CSCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)O |
| InChI | InChI=1S/C22H33N5O4S/c1-32-11-9-18(22(30)31)26-21(29)19(27-20(28)16(24)7-4-5-10-23)12-14-13-25-17-8-3-2-6-15(14)17/h2-3,6,8,13,16,18-19,25H,4-5,7,9-12,23-24H2,1H3,(H,26,29)(H,27,28)(H,30,31)/t16-,18-,19-/m0/s1 |
| InChIKey | KQAREVUPVXMNNP-WDSOQIARSA-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) |
| Lys-Trp-Met (CHEBI:160358) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulanylbutanoic acid |