(2R,4S)-1-[2-(ethanoylsulfanylmethyl)butanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4S)-1-[2-(ethanoylsulfanylmethyl)butanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S)-1-[2-(acetylsulfanylmethyl)butanoyl]-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: (2R,4S)-1-[2-[(acetylthio)methyl]-1-oxobutyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S)-1-[2-(acetylsulfanylmethyl)butanoyl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: (2R,4S)-1-[2-[(acetylthio)methyl]butanoyl]-4-methoxy-proline Formula: C13H21NO5S MolecularWeight: 303.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)OC

Isomeric SMILES

CCC(CSC(=O)C)C(=O)N1C[C@H](C[C@@H]1C(=O)O)OC

InChI

InChI=1S/C13H21NO5S/c1-4-9(7-20-8(2)15)12(16)14-6-10(19-3)5-11(14)13(17)18/h9-11H,4-7H2,1-3H3,(H,17,18)/t9?,10-,11+/m0/s1