(2S,4R)-4-ethoxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-ethoxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-ethoxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-ethoxy-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-ethoxy-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-ethoxy-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C11H19NO4S MolecularWeight: 261.33786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(N(C1)C(=O)C(C)CS)C(=O)O

Isomeric SMILES

CCO[C@@H]1C[C@H](N(C1)C(=O)C(C)CS)C(=O)O

InChI

InChI=1S/C11H19NO4S/c1-3-16-8-4-9(11(14)15)12(5-8)10(13)7(2)6-17/h7-9,17H,3-6H2,1-2H3,(H,14,15)/t7?,8-,9+/m1/s1