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

Systemtic Name: 7-[4-[(E)-N'-[N'-[2-[[azanyl-[(E)-[azanyl-[4-[1-[2,4-bis(fluoranyl)phenyl]-3-carboxy-6-fluoranyl-4-oxidanylidene-quinolin-7-yl]piperazin-1-yl]methylidene]amino]methylidene]amino]ethyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(E)-N'-[N'-[2-[[amino-[(E)-[amino-[4-[3-carboxy-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-quinolyl]piperazin-1-yl]methylene]amino]methylene]amino]ethyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(E)-amino-[amino-[2-[[amino-[(E)-[amino-[4-[3-carboxy-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-quinolinyl]-1-piperazinyl]methylidene]amino]methylidene]amino]ethylimino]methyl]iminomethyl]-1-piperazinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(E)-N'-[N'-[2-[[amino-[(E)-[amino-[4-[3-carboxy-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinolin-7-yl]piperazin-1-yl]methylidene]amino]methylidene]amino]ethyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(E)-N'-[N'-[2-[[amino-[(E)-[amino-[4-[3-carboxy-1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-quinolyl]piperazino]methylene]amino]methylene]amino]ethyl]amidino]amidino]piperazino]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C46H42F6N14O6 MolecularWeight: 1000.906299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F)C(=NC(=NCCN=C(N)N=C(N)N5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8=C(C=C(C=C8)F)F)F)N)N

Isomeric SMILES

C1N(CCN(C1)/C(=N/C(=NCCN=C(/N=C(/N2CCN(CC2)C3=C(C=C4C(=O)C(=CN(C4=C3)C5=C(C=C(C=C5)F)F)C(=O)O)F)\N)N)N)/N)C6=C(C=C7C(=O)C(=CN(C7=C6)C8=C(C=C(C=C8)F)F)C(=O)O)F

InChI

InChI=1S/C46H42F6N14O6/c47-23-1-3-33(29(49)15-23)65-21-27(41(69)70)39(67)25-17-31(51)37(19-35(25)65)61-7-11-63(12-8-61)45(55)59-43(53)57-5-6-58-44(54)60-46(56)64-13-9-62(10-14-64)38-20-36-26(18-32(38)52)40(68)28(42(71)72)22-66(36)34-4-2-24(48)16-30(34)50/h1-4,15-22H,5-14H2,(H,69,70)(H,71,72)(H4,53,55,57,59)(H4,54,56,58,60)