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CHEBI:755325 - bms-817399

Default Structure
ChEBI IDCHEBI:755325
ChEBI Namebms-817399
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H36ClN3O4
Net Charge0
Average Mass454.011
Monoisotopic Mass453.23943
SMILESCC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1
InChIKeyGTDPZONCGOCXOD-JPYJTQIMSA-N
Roles Classification
Application:
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
bms-817399 (CHEBI:755325) has role antirheumatic drug (CHEBI:35842)
bms-817399 (CHEBI:755325) is a N-carbamoyl-amino acid (CHEBI:21689)
Synonym  Source
BMS-817399ChEMBL
Citations