EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H23N3O4S2 |
| Net Charge | 0 |
| Average Mass | 349.478 |
| Monoisotopic Mass | 349.11300 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)O |
| InChI | InChI=1S/C13H23N3O4S2/c1-22-6-4-9(13(19)20)15-11(17)10-3-2-5-16(10)12(18)8(14)7-21/h8-10,21H,2-7,14H2,1H3,(H,15,17)(H,19,20)/t8-,9-,10-/m0/s1 |
| InChIKey | ZALVANCAZFPKIR-GUBZILKMSA-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) |
| Cys-Pro-Met (CHEBI:161644) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-1-[(2R)-2-amino-3-sulanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulanylbutanoic acid |