EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H24N4O4S |
| Net Charge | 0 |
| Average Mass | 392.481 |
| Monoisotopic Mass | 392.15183 |
| SMILES | CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O |
| InChI | InChI=1S/C18H24N4O4S/c1-27-7-6-15(18(25)26)22-16(23)10-21-17(24)13(19)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,15,20H,6-8,10,19H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t13-,15-/m0/s1 |
| InChIKey | IJRXQJVGFBSKIV-ZFWWWQNUSA-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-Gly-Met (CHEBI:164685) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylsulanylbutanoic acid |