EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H29N3O5 |
| Net Charge | 0 |
| Average Mass | 391.468 |
| Monoisotopic Mass | 391.21072 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)O |
| InChI | InChI=1S/C20H29N3O5/c1-12(2)10-16(19(26)23-9-3-4-17(23)20(27)28)22-18(25)15(21)11-13-5-7-14(24)8-6-13/h5-8,12,15-17,24H,3-4,9-11,21H2,1-2H3,(H,22,25)(H,27,28)/t15-,16-,17+/m0/s1 |
| InChIKey | ARJASMXQBRNAGI-YESZJQIVSA-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) |
| Tyr-Leu-Pro (CHEBI:165145) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2R)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid |