EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H33N5O4S |
| Net Charge | 0 |
| Average Mass | 463.604 |
| Monoisotopic Mass | 463.22533 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C22H33N5O4S/c1-32-11-9-16(24)20(28)26-18(8-4-5-10-23)21(29)27-19(22(30)31)12-14-13-25-17-7-3-2-6-15(14)17/h2-3,6-7,13,16,18-19,25H,4-5,8-12,23-24H2,1H3,(H,26,28)(H,27,29)(H,30,31)/t16-,18-,19-/m0/s1 |
| InChIKey | DJJBHQHOZLUBCN-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) |
| Met-Lys-Trp (CHEBI:160920) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |