GQD

(E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid


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Chemical Component Summary

Name(E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid
Identifiers(E)-3-[4-[(1R,3R)-3-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid
FormulaC23 H27 N O3
Molecular Weight365.465
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O
InChIInChI=1S/C23H27NO3/c1-15(2)14-24-16(3)12-19-13-20(25)9-10-21(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,13,15-16,23,25H,12,14H2,1-3H3,(H,26,27)/b11-6+/t16-,23-/m1/s1
InChIKeyWHZIOQODOSOYPX-DGIIRHPGSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count2
Bond Count56
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL3775378
PubChem 127034153
ChEMBL CHEMBL3775378