4-[2-[[1-(4-fluorophenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid

Systemtic Name: 4-[2-[[1-(4-fluorophenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid Openeye Name: 4-[[2-[[1-(4-fluorophenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid CAS Name: 4-[[2-[[[1-(4-fluorophenyl)sulfonyl-4-mercapto-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 4-[[2-[[1-(4-fluorophenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]benzoic acid Traditional Name: 4-[[2-[[1-(4-fluorophenyl)sulfonyl-4-mercapto-prolyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid Formula: C22H24FN3O6S2 MolecularWeight: 509.570863

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N(C)C1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)F)S

Isomeric SMILES

CN(CC(=O)N(C)C1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)F)S

InChI

InChI=1S/C22H24FN3O6S2/c1-24(13-20(27)25(2)16-7-3-14(4-8-16)22(29)30)21(28)19-11-17(33)12-26(19)34(31,32)18-9-5-15(23)6-10-18/h3-10,17,19,33H,11-13H2,1-2H3,(H,29,30)