EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H29N3O4 |
| Net Charge | 0 |
| Average Mass | 375.469 |
| Monoisotopic Mass | 375.21581 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| InChI | InChI=1S/C20H29N3O4/c1-3-13(2)17(21)19(25)23-11-7-10-16(23)18(24)22-15(20(26)27)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12,21H2,1-2H3,(H,22,24)(H,26,27)/t13-,15-,16-,17-/m0/s1 |
| InChIKey | CIJLNXXMDUOFPH-HJWJTTGWSA-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) |
| Ile-Pro-Phe (CHEBI:158714) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 20572334 | ChemSpider |