2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]quinoline-3-carboxylic acid

Systemtic Name: 2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxidanylidene-2-sulfanyl-ethyl)pyrrolidin-2-yl]carbonylamino]quinoline-3-carboxylic acid Openeye Name: 2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanyl-ethyl)pyrrolidine-2-carbonyl]amino]quinoline-3-carboxylic acid CAS Name: 2-[[[4-(2-mercapto-2-oxoethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-quinolinecarboxylic acid IUPAC Name: 2-[[1-[(4-nitrophenyl)methoxycarbonyl]-4-(2-oxo-2-sulfanylethyl)pyrrolidine-2-carbonyl]amino]quinoline-3-carboxylic acid Traditional Name: 2-[[4-(2-keto-2-mercapto-ethyl)-1-(4-nitrobenzyl)oxycarbonyl-prolyl]amino]quinoline-3-carboxylic acid Formula: C25H22N4O8S MolecularWeight: 538.52918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=NC3=CC=CC=C3C=C2C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=NC3=CC=CC=C3C=C2C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)S

InChI

InChI=1S/C25H22N4O8S/c30-21(38)10-15-9-20(28(12-15)25(34)37-13-14-5-7-17(8-6-14)29(35)36)23(31)27-22-18(24(32)33)11-16-3-1-2-4-19(16)26-22/h1-8,11,15,20H,9-10,12-13H2,(H,30,38)(H,32,33)(H,26,27,31)