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CHEBI:758428 - tmc 310911

Default Structure
ChEBI IDCHEBI:758428
ChEBI Nametmc 310911
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC38H53N5O7S2
Net Charge0
Average Mass756.004
Monoisotopic Mass755.33864
SMILES[H][C@]12OCC[C@@]1([H])[C@@H](OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc3nc(NC4CCN(C5CCCC5)CC4)sc3c1)CO2
InChIInChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1
InChIKeyJQUNFHFWXCXPRK-AMMMHQJVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
ChEBI Ontology
Outgoing Relation(s)
tmc 310911 (CHEBI:758428) has role anti-HIV agent (CHEBI:64946)
tmc 310911 (CHEBI:758428) is a benzenes (CHEBI:22712)
tmc 310911 (CHEBI:758428) is a organic amino compound (CHEBI:50047)
Synonym  Source
Tmc 310911ChEMBL