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

Systemtic Name: 4-[2-[methyl-(1-quinolin-8-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonyl-amino]ethanoylamino]benzoic acid Openeye Name: 4-[[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]amino]benzoic acid IUPAC Name: 4-[[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]amino]benzoic acid Formula: C24H24N4O6S2 MolecularWeight: 528.60056

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=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)NC1=CC=C(C=C1)C(=O)O)C(=O)C2CC(CN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4)S

InChI

InChI=1S/C24H24N4O6S2/c1-27(14-21(29)26-17-9-7-16(8-10-17)24(31)32)23(30)19-12-18(35)13-28(19)36(33,34)20-6-2-4-15-5-3-11-25-22(15)20/h2-11,18-19,35H,12-14H2,1H3,(H,26,29)(H,31,32)