7-[4-[(E)-N'-[N'-[2-[[azanyl-[(E)-[azanyl-[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]methylidene]amino]methylidene]amino]ethyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(E)-N'-[N'-[2-[[azanyl-[(E)-[azanyl-[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]methylidene]amino]methylidene]amino]ethyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(E)-N'-[N'-[2-[[amino-[(E)-[amino-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazin-1-yl]methylene]amino]methylene]amino]ethyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(E)-amino-[amino-[2-[[amino-[(E)-[amino-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]methylidene]amino]methylidene]amino]ethylimino]methyl]iminomethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(E)-N'-[N'-[2-[[amino-[(E)-[amino-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]methylidene]amino]methylidene]amino]ethyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(E)-N'-[N'-[2-[[amino-[(E)-[amino-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazino]methylene]amino]methylene]amino]ethyl]amidino]amidino]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C40H46F2N14O6 MolecularWeight: 856.880246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=NC(=NCCN=C(N)N=C(N)N5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)N)N)F)C(=O)O

Isomeric SMILES

C1C(C1)N2C3=CC(=C(C=C3C(=O)C(=C2)C(=O)O)F)N4CCN(CC4)/C(=N/C(=NCCN=C(/N=C(/N5CCN(CC5)C6=C(C=C7C(=O)C(=CN(C7=C6)C8CC8)C(=O)O)F)\N)N)N)/N

InChI

InChI=1S/C40H46F2N14O6/c41-27-15-23-29(55(21-1-2-21)19-25(33(23)57)35(59)60)17-31(27)51-7-11-53(12-8-51)39(45)49-37(43)47-5-6-48-38(44)50-40(46)54-13-9-52(10-14-54)32-18-30-24(16-28(32)42)34(58)26(36(61)62)20-56(30)22-3-4-22/h15-22H,1-14H2,(H,59,60)(H,61,62)(H4,43,45,47,49)(H4,44,46,48,50)