7-[3-[[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[[(3-amino-1-carboxy-3-oxo-propyl)amino]-tert-butoxycarbonyl-amino]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)amino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[[(3-amino-1-carboxy-3-keto-propyl)amino]-tert-butoxycarbonyl-amino]pyrrolidino]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C29H30F3N5O8 MolecularWeight: 633.57241

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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)C4=C(C=C(C=C4)F)F)F)NC(CC(=O)N)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)C4=C(C=C(C=C4)F)F)F)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C29H30F3N5O8/c1-29(2,3)45-28(44)37(34-20(27(42)43)10-24(33)38)15-6-7-35(12-15)23-11-22-16(9-19(23)32)25(39)17(26(40)41)13-36(22)21-5-4-14(30)8-18(21)31/h4-5,8-9,11,13,15,20,34H,6-7,10,12H2,1-3H3,(H2,33,38)(H,40,41)(H,42,43)