4-[methyl-[2-[methyl-(1-quinolin-8-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoyl]amino]benzoic acid

Systemtic Name: 4-[methyl-[2-[methyl-(1-quinolin-8-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoyl]amino]benzoic acid Openeye Name: 4-[methyl-[2-[methyl-[1-(8-quinolylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[[4-mercapto-1-(8-quinolinylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 4-[methyl-[2-[methyl-(1-quinolin-8-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-mercapto-1-(8-quinolylsulfonyl)prolyl]-methyl-amino]acetyl]-methyl-amino]benzoic acid Formula: C25H26N4O6S2 MolecularWeight: 542.62714

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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=CC4=C3N=CC=C4)S

Isomeric SMILES

CN(CC(=O)N(C)C1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4)S

InChI

InChI=1S/C25H26N4O6S2/c1-27(15-22(30)28(2)18-10-8-17(9-11-18)25(32)33)24(31)20-13-19(36)14-29(20)37(34,35)21-7-3-5-16-6-4-12-26-23(16)21/h3-12,19-20,36H,13-15H2,1-2H3,(H,32,33)