(2S)-4-tert-butyl-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-4-tert-butyl-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-tert-butyl-4-hydroxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-tert-butyl-4-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-tert-butyl-4-hydroxy-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-tert-butyl-4-hydroxy-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C13H23NO4S MolecularWeight: 289.39102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)(C(C)(C)C)O

Isomeric SMILES

CC(CS)C(=O)N1CC(C[C@H]1C(=O)O)(C(C)(C)C)O

InChI

InChI=1S/C13H23NO4S/c1-8(6-19)10(15)14-7-13(18,12(2,3)4)5-9(14)11(16)17/h8-9,18-19H,5-7H2,1-4H3,(H,16,17)/t8?,9-,13?/m0/s1