[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3S)-2-acetamido-4-methoxy-3-phenylsulfanyl-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3S)-2-acetamido-4-methoxy-3-phenylsulfanyl-butanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R,3S)-2-acetamido-4-methoxy-3-phenylsulfanyl-butanoate CAS Name: (2R,3S)-2-acetamido-4-methoxy-3-(phenylthio)butanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3S)-2-acetamido-4-methoxy-3-phenylsulfanylbutanoate Traditional Name: (2R,3S)-2-acetamido-4-methoxy-3-(phenylthio)butyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C29H39NO4S MolecularWeight: 497.68926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(COC)SC2=CC=CC=C2)NC(=O)C)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]([C@@H](COC)SC2=CC=CC=C2)NC(=O)C)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C29H39NO4S/c1-20-16-17-24(29(3,4)22-12-8-6-9-13-22)25(18-20)34-28(32)27(30-21(2)31)26(19-33-5)35-23-14-10-7-11-15-23/h6-15,20,24-27H,16-19H2,1-5H3,(H,30,31)/t20-,24-,25-,26-,27+/m1/s1