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CHEBI:756390 - timcodar dimesylate
| Formula | CH4O3S.C43H45ClN4O6.CH4O3S |
| Net Charge | 0 |
| Average Mass | 941.522 |
| Monoisotopic Mass | 940.27899 |
| SMILES | COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC.CS(=O)(=O)O.CS(=O)(=O)O |
| InChI | InChI=1S/C43H45ClN4O6.2CH4O3S/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31;2*1-5(2,3)4/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3;2*1H3,(H,2,3,4)/t37-;;/m0../s1 |
| InChIKey | LXIAWDJOQUWVQS-SHRURHRBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| timcodar dimesylate (CHEBI:756390) is a phenylalanine derivative (CHEBI:25985) |
| Synonyms | Source |
|---|---|
| Timcodar dimesilate | ChEMBL |
| Timcodar dimesylate | ChEMBL |
| VX-853-2 | ChEMBL |