EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H32N4O4S |
| Net Charge | 0 |
| Average Mass | 448.589 |
| Monoisotopic Mass | 448.21443 |
| SMILES | CSCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)O |
| InChI | InChI=1S/C22H32N4O4S/c1-13(2)10-16(23)20(27)26-19(21(28)25-18(22(29)30)8-9-31-3)11-14-12-24-17-7-5-4-6-15(14)17/h4-7,12-13,16,18-19,24H,8-11,23H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)/t16-,18-,19-/m0/s1 |
| InChIKey | UIIMIKFNIYPDJF-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) |
| Leu-Trp-Met (CHEBI:159574) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulanylbutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 57567997 | ChemSpider |