Chemical Component Summary

Name(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-YL(HEPTYL)AMINO]ETHYL}PHENOXY)-2-METHYLBUTANOIC ACID
Identifiers(2S)-2-[4-[2-(1,3-benzoxazol-2-yl-heptyl-amino)ethyl]phenoxy]-2-methyl-butanoic acid
FormulaC27 H36 N2 O4
Molecular Weight452.586
TypeNON-POLYMER
Isomeric SMILESCCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2
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-/m0/s1
InChIKeyQPKIEBNVIOELIR-MHZLTWQESA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count2
Bond Count71
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL477119
PubChem 16058624
ChEMBL CHEMBL477119