EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H6O3S.C30H38N4O4 |
| Net Charge | 0 |
| Average Mass | 676.836 |
| Monoisotopic Mass | 676.29307 |
| SMILES | O=S(=O)(O)c1ccccc1.[H][C@@]1([C@@H](C)CC)C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C |
| InChI | InChI=1S/C30H38N4O4.C6H6O3S/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33;7-10(8,9)6-4-2-1-3-5-6/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35);1-5H,(H,7,8,9)/t18-,25+,26+,27+;/m0./s1 |
| InChIKey | BEWUOCYETMDWGE-FKDQZALLSA-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) |
| epelsiban besylate (CHEBI:751598) is a dipeptide (CHEBI:46761) |
| Synonyms | Source |
|---|---|
| Epelsiban besylate | ChEMBL |
| GSK-557296B | ChEMBL |
| GSK557296B | ChEMBL |