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

Systemtic Name: 7-[4-[(NE)-N-[azanyl-[4-[(E)-N'-[C-[4-(3-carboxy-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]carbonimidoyl]carbamimidoyl]piperazin-1-yl]methylidene]carbamimidoyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(NE)-N-[amino-[4-[(E)-N'-[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolyl)piperazine-1-carboximidoyl]carbamimidoyl]piperazin-1-yl]methylene]carbamimidoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[(E)-[amino-[4-[(E)-amino-[[4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]-iminomethyl]iminomethyl]-1-piperazinyl]methylidene]amino]-iminomethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(NE)-N-[amino-[4-[(E)-N'-[4-(3-carboxy-1-ethyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carboximidoyl]carbamimidoyl]piperazin-1-yl]methylidene]carbamimidoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(NE)-N-[amino-[4-[(E)-N'-[4-(3-carboxy-1-ethyl-6-fluoro-4-keto-7-quinolyl)piperazine-1-carboximidoyl]amidino]piperazino]methylene]amidino]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C40H48F2N14O6 MolecularWeight: 858.896126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=N)N=C(N)N4CCN(CC4)C(=NC(=N)N5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)CC)F)N)F)C(=O)O

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C(=C1)C(=O)O)F)N3CCN(CC3)C(=N)/N=C(/N4CCN(CC4)/C(=N/C(=N)N5CCN(CC5)C6=C(C=C7C(=O)C(=CN(C7=C6)CC)C(=O)O)F)/N)\N

InChI

InChI=1S/C40H48F2N14O6/c1-3-49-21-25(35(59)60)33(57)23-17-27(41)31(19-29(23)49)51-5-9-53(10-6-51)37(43)47-39(45)55-13-15-56(16-14-55)40(46)48-38(44)54-11-7-52(8-12-54)32-20-30-24(18-28(32)42)34(58)26(36(61)62)22-50(30)4-2/h17-22H,3-16H2,1-2H3,(H,59,60)(H,61,62)(H3,43,45,47)(H3,44,46,48)