(2S,4S)-1-(3-ethanoylsulfanylbutanoyl)-4-pent-4-enylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-1-(3-ethanoylsulfanylbutanoyl)-4-pent-4-enylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanylbutanoyl)-4-pent-4-enylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-1-oxobutyl]-4-(pent-4-enylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanylbutanoyl)-4-pent-4-enylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)butanoyl]-4-(pent-4-enylthio)proline Formula: C16H25NO4S2 MolecularWeight: 359.504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(CC1C(=O)O)SCCCC=C)SC(=O)C

Isomeric SMILES

CC(CC(=O)N1C[C@H](C[C@H]1C(=O)O)SCCCC=C)SC(=O)C

InChI

InChI=1S/C16H25NO4S2/c1-4-5-6-7-22-13-9-14(16(20)21)17(10-13)15(19)8-11(2)23-12(3)18/h4,11,13-14H,1,5-10H2,2-3H3,(H,20,21)/t11?,13-,14-/m0/s1