EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H23N5O5S |
| Net Charge | 0 |
| Average Mass | 421.479 |
| Monoisotopic Mass | 421.14199 |
| SMILES | N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cncn1)C(=O)O |
| InChI | InChI=1S/C18H23N5O5S/c19-13(5-10-1-3-12(24)4-2-10)16(25)23-15(8-29)17(26)22-14(18(27)28)6-11-7-20-9-21-11/h1-4,7,9,13-15,24,29H,5-6,8,19H2,(H,20,21)(H,22,26)(H,23,25)(H,27,28)/t13-,14-,15-/m0/s1 |
| InChIKey | BVOCLAPFOBSJHR-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) |
| Tyr-Cys-His (CHEBI:165020) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid |