(3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-4-(2-oxidanylidenecyclohexyl)-3-phenylsulfanyl-butanoic acid

Systemtic Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-4-(2-oxidanylidenecyclohexyl)-3-phenylsulfanyl-butanoic acid Openeye Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-4-(2-oxocyclohexyl)-3-phenylsulfanyl-butanoic acid CAS Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-(2-oxocyclohexyl)-3-(phenylthio)butanoic acid IUPAC Name: (3R,4S)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-(2-oxocyclohexyl)-3-phenylsulfanylbutanoic acid Traditional Name: (3R,4S)-4-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-4-(2-ketocyclohexyl)-3-(phenylthio)butyric acid Formula: C26H38O4S MolecularWeight: 446.64252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(C2CCCCC2=O)C(CC(=O)O)SC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H](C2CCCCC2=O)[C@@H](CC(=O)O)SC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H38O4S/c1-17(2)20-14-13-18(3)15-23(20)30-26(21-11-7-8-12-22(21)27)24(16-25(28)29)31-19-9-5-4-6-10-19/h4-6,9-10,17-18,20-21,23-24,26H,7-8,11-16H2,1-3H3,(H,28,29)/t18-,20+,21?,23-,24-,26+/m1/s1