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CHEBI:755902 - bms-955176

Default Structure
ChEBI IDCHEBI:755902
ChEBI Namebms-955176
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC42H62N2O4S
Net Charge0
Average Mass691.035
Monoisotopic Mass690.44303
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(NCCN5CCS(=O)(=O)CC5)CC[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)C(c3ccc(C(=O)O)cc3)=CC[C@]21C
InChIInChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1
InChIKeyXDMUFNNPLXHNKA-ZTESCHFWSA-N
Roles Classification
Biological Role:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
ChEBI Ontology
Outgoing Relation(s)
bms-955176 (CHEBI:755902) has role anti-HIV agent (CHEBI:64946)
bms-955176 (CHEBI:755902) is a triterpenoid (CHEBI:36615)
Synonyms  Source
BMS-955176ChEMBL
GSK-3532795ChEMBL
Citations