EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H24N4O5S |
| Net Charge | 0 |
| Average Mass | 360.436 |
| Monoisotopic Mass | 360.14674 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)O |
| InChI | InChI=1S/C14H24N4O5S/c1-24-6-4-9(14(22)23)17-13(21)10(7-11(15)19)18-12(20)8-3-2-5-16-8/h8-10,16H,2-7H2,1H3,(H2,15,19)(H,17,21)(H,18,20)(H,22,23)/t8-,9-,10-/m0/s1 |
| InChIKey | KQCCDMFIALWGTL-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) |
| Pro-Asn-Met (CHEBI:162122) is a tripeptide (CHEBI:47923) |
| IUPAC Name |
|---|
| (2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-methylsulanylbutanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8467480 | ChemSpider |