1-[2-(2-benzamidoethanoylsulfanyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(2-benzamidoethanoylsulfanyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(2-benzamidoacetyl)sulfanylethylsulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-benzamido-1-oxoethyl)thio]ethylsulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(2-benzamidoacetyl)sulfanylethylsulfonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(hippuroylthio)ethylsulfonyl]proline Formula: C16H20N2O6S2 MolecularWeight: 400.4698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CCSC(=O)CNC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CCSC(=O)CNC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H20N2O6S2/c19-14(11-17-15(20)12-5-2-1-3-6-12)25-9-10-26(23,24)18-8-4-7-13(18)16(21)22/h1-3,5-6,13H,4,7-11H2,(H,17,20)(H,21,22)