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CHEBI:758584 - beroterkib anhydrous

Default Structure
ChEBI IDCHEBI:758584
ChEBI Nameberoterkib anhydrous
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H31ClFN5O5
Net Charge0
Average Mass584.048
Monoisotopic Mass583.19977
SMILESCOc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(NC5CCOCC5)ncc4Cl)cc3C2=O)c1
InChIInChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1
InChIKeyBVRGQPJKSKKGIH-PUAOIOHZSA-N
ChEBI Ontology
Outgoing Relation(s)
beroterkib anhydrous (CHEBI:758584) is a alanine derivative (CHEBI:22278)
Synonym  Source
AT-35029ChEMBL
Citations