(2S,4S,5S)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-5-methyl-2-(2-methylpropyl)-4-methylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-5-methyl-2-(2-methylpropyl)-4-methylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-5-methyl-4-methylsulfonyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5S)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-5-methyl-2-(2-methylpropyl)-4-methylsulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxybenzoyl)-5-methyl-2-(2-methylpropyl)-4-methylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5S)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-4-mesyl-5-methyl-proline Formula: C23H35NO6S MolecularWeight: 453.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)(CC(C)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

C[C@H]1[C@H](C[C@@](N1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)(CC(C)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C23H35NO6S/c1-14(2)12-23(21(26)27)13-19(31(8,28)29)15(3)24(23)20(25)16-9-10-17(22(4,5)6)18(11-16)30-7/h9-11,14-15,19H,12-13H2,1-8H3,(H,26,27)/t15-,19-,23-/m0/s1