(4S)-2-[(1S)-1-[(2R,4R)-2-[(4R)-2-(2-acetyloxy-6-pentyl-phenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methyl-1-[2,2,2-tris(fluoranyl)ethanoyloxy]propan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid

Systemtic Name: (4S)-2-[(1S)-1-[(2R,4R)-2-[(4R)-2-(2-acetyloxy-6-pentyl-phenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methyl-1-[2,2,2-tris(fluoranyl)ethanoyloxy]propan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid Openeye Name: (4S)-2-[(2S)-2-[(2R,4R)-2-[(4R)-2-(2-acetoxy-6-pentyl-phenyl)-4,5-dihydrothiazol-4-yl]-3-methyl-thiazolidin-4-yl]-1,1-dimethyl-2-(2,2,2-trifluoroacetyl)oxy-ethyl]-4-methyl-5H-thiazole-4-carboxylic acid CAS Name: (4S)-2-[(1S)-1-[(2R,4R)-2-[(4R)-2-(2-acetyloxy-6-pentylphenyl)-4,5-dihydrothiazol-4-yl]-3-methyl-4-thiazolidinyl]-2-methyl-1-(2,2,2-trifluoro-1-oxoethoxy)propan-2-yl]-4-methyl-5H-thiazole-4-carboxylic acid IUPAC Name: (4S)-2-[(1S)-1-[(2R,4R)-2-[(4R)-2-(2-acetyloxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methyl-1-(2,2,2-trifluoroacetyl)oxypropan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid Traditional Name: (4S)-2-[(2S)-2-[(2R,4R)-2-[(4R)-2-(2-acetoxy-6-amyl-phenyl)-2-thiazolin-4-yl]-3-methyl-thiazolidin-4-yl]-1,1-dimethyl-2-(2,2,2-trifluoroacetyl)oxy-ethyl]-4-methyl-2-thiazoline-4-carboxylic acid Formula: C31H40F3N3O6S3 MolecularWeight: 703.85601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC=C1)OC(=O)C)C2=NC(CS2)C3N(C(CS3)C(C(C)(C)C4=NC(CS4)(C)C(=O)O)OC(=O)C(F)(F)F)C

Isomeric SMILES

CCCCCC1=C(C(=CC=C1)OC(=O)C)C2=N[C@H](CS2)[C@@H]3N([C@@H](CS3)[C@H](C(C)(C)C4=N[C@@](CS4)(C)C(=O)O)OC(=O)C(F)(F)F)C

InChI

InChI=1S/C31H40F3N3O6S3/c1-7-8-9-11-18-12-10-13-21(42-17(2)38)22(18)24-35-19(14-44-24)25-37(6)20(15-45-25)23(43-28(41)31(32,33)34)29(3,4)26-36-30(5,16-46-26)27(39)40/h10,12-13,19-20,23,25H,7-9,11,14-16H2,1-6H3,(H,39,40)/t19-,20+,23-,25-,30-/m1/s1