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CHEBI:755068 - samatasvir

Default Structure
ChEBI IDCHEBI:755068
ChEBI Namesamatasvir
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC47H48N8O6S2
Net Charge0
Average Mass885.085
Monoisotopic Mass884.31382
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc(-c3csc4c(-c5ccc(-c6cnc([C@@H]7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)n6)cc5)csc34)cc2n1)C(C)C
InChIInChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1
InChIKeyATOLIHZIXHZSBA-BTSKBWHGSA-N
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
samatasvir (CHEBI:755068) has role antiviral agent (CHEBI:22587)
samatasvir (CHEBI:755068) is a valine derivative (CHEBI:27267)
INN  Source
samatasvirWHO MedNet
Synonyms  Source
IDX-18719ChEMBL
IDX18719ChEMBL
Citations