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CHEBI:42161 - (2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID

Default Structure
ChEBI IDCHEBI:42161
ChEBI Name(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC27H36N2O4
Net Charge0
Average Mass452.595
Monoisotopic Mass452.26751
SMILES[H]OC(=O)[C@@](Oc1c([H])c([H])c(C([H])([H])C([H])([H])N(c2nc3c([H])c([H])c([H])c([H])c3o2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c1[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1
InChIKeyQPKIEBNVIOELIR-HHHXNRCGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID (CHEBI:42161) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]ethyl}phenoxy)-2-methylbutanoic acidPDBeChem
(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACIDPDBeChem
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