(2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethoxy]methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethoxy]methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethoxy]methyl]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[2-[2-(4-fluorophenyl)ethyl]-4-[[1-(4-fluorophenyl)-2-(1-imidazolyl)ethoxy]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-4-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethoxy]methyl]benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H33F2N3O4S MolecularWeight: 593.683926

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COC(CN2C=CN=C2)C3=CC=C(C=C3)F)CCC4=CC=C(C=C4)F

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)COC(CN2C=CN=C2)C3=CC=C(C=C3)F)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C32H33F2N3O4S/c1-42-17-14-29(32(39)40)36-31(38)28-13-5-23(18-25(28)6-2-22-3-9-26(33)10-4-22)20-41-30(19-37-16-15-35-21-37)24-7-11-27(34)12-8-24/h3-5,7-13,15-16,18,21,29-30H,2,6,14,17,19-20H2,1H3,(H,36,38)(H,39,40)/t29-,30?/m0/s1