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

Systemtic Name: 4-[2-[[4-ethanoylsulfanyl-1-(4-fluorophenyl)sulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid Openeye Name: 4-[[2-[[4-acetylsulfanyl-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid CAS Name: 4-[[2-[[[4-(acetylthio)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 4-[[2-[[4-acetylsulfanyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]benzoic acid Traditional Name: 4-[[2-[[4-(acetylthio)-1-(4-fluorophenyl)sulfonyl-prolyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid Formula: C24H26FN3O7S2 MolecularWeight: 551.607543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N(C)CC(=O)N(C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N(C)CC(=O)N(C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H26FN3O7S2/c1-15(29)36-19-12-21(28(13-19)37(34,35)20-10-6-17(25)7-11-20)23(31)26(2)14-22(30)27(3)18-8-4-16(5-9-18)24(32)33/h4-11,19,21H,12-14H2,1-3H3,(H,32,33)