EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H31N5O4 |
| Net Charge | 0 |
| Average Mass | 381.477 |
| Monoisotopic Mass | 381.23760 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1cncn1)C(=O)O |
| InChI | InChI=1S/C18H31N5O4/c1-5-11(4)15(23-16(24)13(19)6-10(2)3)17(25)22-14(18(26)27)7-12-8-20-9-21-12/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/t11-,13-,14-,15-/m0/s1 |
| InChIKey | JFSGIJSCJFQGSZ-MXAVVETBSA-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) |
| Leu-Ile-His (CHEBI:159281) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid |