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

Systemtic Name: 4-[2-[[4-ethanoylsulfanyl-1-(4-nitrophenyl)sulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]benzoic acid Openeye Name: 4-[[2-[[4-acetylsulfanyl-1-(4-nitrophenyl)sulfonyl-pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid CAS Name: 4-[[2-[[[4-(acetylthio)-1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 4-[[2-[[4-acetylsulfanyl-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]benzoic acid Traditional Name: 4-[[2-[[4-(acetylthio)-1-nosyl-prolyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid Formula: C24H26N4O9S2 MolecularWeight: 578.61464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])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)[N+](=O)[O-])C(=O)N(C)CC(=O)N(C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H26N4O9S2/c1-15(29)38-19-12-21(27(13-19)39(36,37)20-10-8-18(9-11-20)28(34)35)23(31)25(2)14-22(30)26(3)17-6-4-16(5-7-17)24(32)33/h4-11,19,21H,12-14H2,1-3H3,(H,32,33)