(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]amino]butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]amino]butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-4-[[2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methyl-4-quinolyl]oxy]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-[(2S)-3,3-dimethyl-1-oxo-2-[3-(trifluoromethyl)anilino]butyl]-N-[(1R,2R)-2-ethyl-1-[[(1-methylcyclopropyl)sulfonylamino]-oxomethyl]cyclopropyl]-4-[[7-methoxy-8-methyl-2-(4-propan-2-yl-2-thiazolyl)-4-quinolinyl]oxy]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-(trifluoromethyl)anilino]butanoyl]-N-[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-4-[[2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methyl-4-quinolyl]oxy]pyrrolidine-2-carboxamide Formula: C45H55F3N6O7S2 MolecularWeight: 913.07941

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(C(=O)NS(=O)(=O)C2(CC2)C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC4=CC=CC(=C4)C(F)(F)F)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C

Isomeric SMILES

CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2(CC2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC4=CC=CC(=C4)C(F)(F)F)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C

InChI

InChI=1S/C45H55F3N6O7S2/c1-10-26-21-44(26,41(57)53-63(58,59)43(8)16-17-43)52-38(55)33-19-29(22-54(33)40(56)37(42(5,6)7)49-28-13-11-12-27(18-28)45(46,47)48)61-35-20-31(39-51-32(23-62-39)24(2)3)50-36-25(4)34(60-9)15-14-30(35)36/h11-15,18,20,23-24,26,29,33,37,49H,10,16-17,19,21-22H2,1-9H3,(H,52,55)(H,53,57)/t26-,29-,33+,37-,44-/m1/s1