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CHEBI:165851 - 4-Hydroxyvalsartan

ChEBI IDCHEBI:165851
ChEBI Name4-Hydroxyvalsartan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29N5O4
Net Charge0
Average Mass451.527
Monoisotopic Mass451.22195
SMILESCC(O)CCC(=O)N(Cc1ccc(-c2ccccc2-c2nnnn2)cc1)[C@H](C(=O)O)C(C)C
InChIInChI=1S/C24H29N5O4/c1-15(2)22(24(32)33)29(21(31)13-8-16(3)30)14-17-9-11-18(12-10-17)19-6-4-5-7-20(19)23-25-27-28-26-23/h4-7,9-12,15-16,22,30H,8,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28)/t16?,22-/m0/s1
InChIKeyICSQZMPILLPFKC-XLDIYJRPSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxyvalsartan (CHEBI:165851) is a valine derivative (CHEBI:27267)
IUPAC Name 
(2S)-2-[4-hydroxypentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-methylbutanoic acid
Manual XrefsDatabases
8087298ChemSpider
HMDB0013848HMDB
Registry NumbersSources
CAS:188259-69-0ChemIDplus