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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3S)-2-acetamido-4-phenylmethoxy-3-phenylsulfanyl-butanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R,3S)-2-acetamido-4-benzyloxy-3-phenylsulfanyl-butanoate CAS Name: (2R,3S)-2-acetamido-4-phenylmethoxy-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-phenylmethoxy-3-phenylsulfanylbutanoate Traditional Name: (2R,3S)-2-acetamido-4-benzoxy-3-(phenylthio)butyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C35H43NO4S MolecularWeight: 573.78522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(COCC2=CC=CC=C2)SC3=CC=CC=C3)NC(=O)C)C(C)(C)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]([C@@H](COCC2=CC=CC=C2)SC3=CC=CC=C3)NC(=O)C)C(C)(C)C4=CC=CC=C4

InChI

InChI=1S/C35H43NO4S/c1-25-20-21-30(35(3,4)28-16-10-6-11-17-28)31(22-25)40-34(38)33(36-26(2)37)32(41-29-18-12-7-13-19-29)24-39-23-27-14-8-5-9-15-27/h5-19,25,30-33H,20-24H2,1-4H3,(H,36,37)/t25-,30-,31-,32-,33+/m1/s1