EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H28N4O5S |
| Net Charge | 0 |
| Average Mass | 424.523 |
| Monoisotopic Mass | 424.17804 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| InChI | InChI=1S/C19H28N4O5S/c1-29-10-9-14(22-17(25)13(20)7-8-16(21)24)18(26)23-15(19(27)28)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11,20H2,1H3,(H2,21,24)(H,22,25)(H,23,26)(H,27,28)/t13-,14-,15-/m0/s1 |
| InChIKey | DFRYZTUPVZNRLG-KKUMJFAQSA-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) |
| Gln-Met-Phe (CHEBI:162363) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-phenylpropanoic acid |