EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H27N3O5 |
| Net Charge | 0 |
| Average Mass | 365.430 |
| Monoisotopic Mass | 365.19507 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| InChI | InChI=1S/C18H27N3O5/c1-11(2)8-14(20-16(23)13(19)10-22)17(24)21-15(18(25)26)9-12-6-4-3-5-7-12/h3-7,11,13-15,22H,8-10,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t13-,14-,15-/m0/s1 |
| InChIKey | VZQRNAYURWAEFE-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) |
| Ser-Leu-Phe (CHEBI:163244) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 18808301 | ChemSpider |