(2S,5S)-5-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,5S)-5-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,5S)-1-tert-butoxycarbonyl-5-ethynyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,5S)-5-ethynyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,5S)-5-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,5S)-1-tert-butoxycarbonyl-5-ethynyl-proline Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1C(=O)O)C#C

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CC[C@H]1C(=O)O)C#C

InChI

InChI=1S/C12H17NO4/c1-5-8-6-7-9(10(14)15)13(8)11(16)17-12(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,14,15)/t8-,9+/m1/s1