1-cyclopropyl-6-fluoranyl-7-[3-[(2-methylpropan-2-yl)oxycarbonyl-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-[(2-methylpropan-2-yl)oxycarbonyl-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]amino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[tert-butoxycarbonyl-[(1-carboxy-3-methylsulfanyl-propyl)amino]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-[[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[tert-butoxycarbonyl-[[1-carboxy-3-(methylthio)propyl]amino]amino]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H35FN4O7S MolecularWeight: 578.652803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)NC(CCSC)C(=O)O

InChI

InChI=1S/C27H35FN4O7S/c1-27(2,3)39-26(38)32(29-20(25(36)37)8-10-40-4)16-7-9-30(13-16)22-12-21-17(11-19(22)28)23(33)18(24(34)35)14-31(21)15-5-6-15/h11-12,14-16,20,29H,5-10,13H2,1-4H3,(H,34,35)(H,36,37)