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CHEBI:758782 - yimitasvir

Default Structure
ChEBI IDCHEBI:758782
ChEBI Nameyimitasvir
Stars
Last Modified30 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC49H58N8O6
Net Charge0
Average Mass855.053
Monoisotopic Mass854.44793
SMILESCOC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)c4c3[C@@H]3CC[C@H]4C3)cc2)n1)C(C)C
InChIInChI=1S/C49H58N8O6/c1-26(2)42(54-48(60)62-5)46(58)56-21-7-9-38(56)44-50-25-37(53-44)29-13-11-28(12-14-29)33-18-19-34(41-32-16-15-31(23-32)40(33)41)30-17-20-35-36(24-30)52-45(51-35)39-10-8-22-57(39)47(59)43(27(3)4)55-49(61)63-6/h11-14,17-20,24-27,31-32,38-39,42-43H,7-10,15-16,21-23H2,1-6H3,(H,50,53)(H,51,52)(H,54,60)(H,55,61)/t31-,32+,38+,39+,42+,43+/m1/s1
InChIKeyCMLNPOWEANUBIB-XIGHHNHFSA-N
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
yimitasvir (CHEBI:758782) has role antiviral agent (CHEBI:22587)
yimitasvir (CHEBI:758782) is a valine derivative (CHEBI:27267)
Synonyms  Source
DAG-181ChEMBL
DAG181ChEMBL
YimitasvirChEMBL