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CHEBI:752602 - valategrast hydrochloride

Default Structure
ChEBI IDCHEBI:752602
ChEBI Namevalategrast hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C30H32Cl3N3O4
Net Charge0
Average Mass641.423
Monoisotopic Mass639.12252
SMILESCCN(CC)CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(C)cccc1Cl.Cl
InChIInChI=1S/C30H32Cl3N3O4.ClH/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33;/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37);1H/t25-;/m0./s1
InChIKeyCNNHYZRRGXZIIA-UQIIZPHYSA-N
ChEBI Ontology
Outgoing Relation(s)
valategrast hydrochloride (CHEBI:752602) is a phenylalanine derivative (CHEBI:25985)
Synonyms  Source
R-411ChEMBL
RO-0272441/002ChEMBL
RO0272441/002ChEMBL
RO-02724411002ChEMBL
RO02724411002ChEMBL
RO-27-2441/002ChEMBL