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

Systemtic Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-propoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-propoxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-propoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(2-methyl-3-sulfanylpropanoyl)-4-propoxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercapto-2-methyl-propanoyl)-4-propoxy-proline Formula: C12H21NO4S MolecularWeight: 275.36444

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CC(N(C1)C(=O)C(C)CS)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4S/c1-3-4-17-9-5-10(12(15)16)13(6-9)11(14)8(2)7-18/h8-10,18H,3-7H2,1-2H3,(H,15,16)/t8?,9-,10+/m1/s1