1-[1-(phenylmethyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-(phenylmethyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-benzylsulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[[4-mercapto-1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-benzylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1-benzylsulfonyl-4-mercapto-prolyl)isonipecotic acid Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)CC3=CC=CC=C3)S

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CC(CN2S(=O)(=O)CC3=CC=CC=C3)S

InChI

InChI=1S/C18H24N2O5S2/c21-17(19-8-6-14(7-9-19)18(22)23)16-10-15(26)11-20(16)27(24,25)12-13-4-2-1-3-5-13/h1-5,14-16,26H,6-12H2,(H,22,23)