2-[[3-[2-(4-fluorophenyl)-3-imidazol-1-yl-propyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-[2-(4-fluorophenyl)-3-imidazol-1-yl-propyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-[2-(4-fluorophenyl)-3-imidazol-1-yl-propyl]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-[2-(4-fluorophenyl)-3-(1-imidazolyl)propyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-[2-(4-fluorophenyl)-3-imidazol-1-ylpropyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-[2-(4-fluorophenyl)-3-imidazol-1-yl-propyl]benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H26FN3O3S MolecularWeight: 455.544943

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)CC(CN2C=CN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)CC(CN2C=CN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FN3O3S/c1-32-12-9-22(24(30)31)27-23(29)19-4-2-3-17(13-19)14-20(15-28-11-10-26-16-28)18-5-7-21(25)8-6-18/h2-8,10-11,13,16,20,22H,9,12,14-15H2,1H3,(H,27,29)(H,30,31)