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

Systemtic Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-prop-2-ynoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-prop-2-ynoxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-prop-2-ynoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(2-methyl-3-sulfanylpropanoyl)-4-prop-2-ynoxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercapto-2-methyl-propanoyl)-4-propargyloxy-proline Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CS)C(=O)N1C[C@@H](C[C@H]1C(=O)O)OCC#C

InChI

InChI=1S/C12H17NO4S/c1-3-4-17-9-5-10(12(15)16)13(6-9)11(14)8(2)7-18/h1,8-10,18H,4-7H2,2H3,(H,15,16)/t8?,9-,10+/m1/s1