(2S)-1-(2-ethylhexanoyl)-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-ethylhexanoyl)-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(2-ethylhexanoyl)-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-(2-ethyl-1-oxohexyl)-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(2-ethylhexanoyl)-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(2-ethylhexanoyl)-5-keto-proline Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(CCC1=O)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)N1[C@@H](CCC1=O)C(=O)O

InChI

InChI=1S/C13H21NO4/c1-3-5-6-9(4-2)12(16)14-10(13(17)18)7-8-11(14)15/h9-10H,3-8H2,1-2H3,(H,17,18)/t9?,10-/m0/s1