(2S,4S)-4-cyclohexylsulfanyl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-cyclohexylsulfanyl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-cyclohexylsulfanyl-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-(cyclohexylthio)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-cyclohexylsulfanyl-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-(cyclohexylthio)-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C15H25NO3S2 MolecularWeight: 331.4939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)SC2CCCCC2

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)SC2CCCCC2

InChI

InChI=1S/C15H25NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h10-13,20H,2-9H2,1H3,(H,18,19)/t10?,12-,13-/m0/s1