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

Systemtic Name: (2S)-4-ethynyl-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-ethynyl-4-hydroxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-ethynyl-4-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-ethynyl-4-hydroxy-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-ethynyl-4-hydroxy-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-3-11(16)4-8(10(14)15)12(6-11)9(13)7(2)5-17/h1,7-8,16-17H,4-6H2,2H3,(H,14,15)/t7?,8-,11?/m0/s1