7-[3-[[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]-2-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-1H-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]-2-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 7-[3-[[(3-amino-1-carboxy-3-oxo-propyl)amino]-tert-butoxycarbonyl-amino]pyrrolidin-1-yl]-2-cyclopropyl-6,8-difluoro-4-oxo-1H-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]-2-cyclopropyl-6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 7-[3-[[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)amino]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]-2-cyclopropyl-6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 7-[3-[[(3-amino-1-carboxy-3-keto-propyl)amino]-tert-butoxycarbonyl-amino]pyrrolidino]-2-cyclopropyl-6,8-difluoro-4-keto-1H-quinoline-3-carboxylic acid Formula: C26H31F2N5O8 MolecularWeight: 579.549846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1CCN(C1)C2=C(C=C3C(=C2F)NC(=C(C3=O)C(=O)O)C4CC4)F)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C1CCN(C1)C2=C(C=C3C(=C2F)NC(=C(C3=O)C(=O)O)C4CC4)F)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C26H31F2N5O8/c1-26(2,3)41-25(40)33(31-15(23(36)37)9-16(29)34)12-6-7-32(10-12)21-14(27)8-13-20(18(21)28)30-19(11-4-5-11)17(22(13)35)24(38)39/h8,11-12,15,31H,4-7,9-10H2,1-3H3,(H2,29,34)(H,30,35)(H,36,37)(H,38,39)