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

Systemtic Name: 4-[2-[[4-ethanoylsulfanyl-1-(phenylsulfonyl)pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid Openeye Name: 4-[[2-[[4-acetylsulfanyl-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid CAS Name: 4-[[2-[[[4-(acetylthio)-1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 4-[[2-[[4-acetylsulfanyl-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]benzoic acid Traditional Name: 4-[[2-[[4-(acetylthio)-1-besyl-prolyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid Formula: C24H27N3O7S2 MolecularWeight: 533.61708

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H27N3O7S2/c1-16(28)35-19-13-21(27(14-19)36(33,34)20-7-5-4-6-8-20)23(30)25(2)15-22(29)26(3)18-11-9-17(10-12-18)24(31)32/h4-12,19,21H,13-15H2,1-3H3,(H,31,32)