2-[4-[(E)-N'-[N'-[6-[[azanyl-[(E)-[azanyl-[4-(6-carboxy-3-fluoranyl-5-oxidanylidene-[1,3]benzothiazolo[3,2-a]quinolin-2-yl)piperazin-1-yl]methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-3-fluoranyl-5-oxidanylidene-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid

Systemtic Name: 2-[4-[(E)-N'-[N'-[6-[[azanyl-[(E)-[azanyl-[4-(6-carboxy-3-fluoranyl-5-oxidanylidene-[1,3]benzothiazolo[3,2-a]quinolin-2-yl)piperazin-1-yl]methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-3-fluoranyl-5-oxidanylidene-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Openeye Name: 2-[4-[(E)-N'-[N'-[6-[[amino-[(E)-[amino-[4-(6-carboxy-3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a]quinolin-2-yl)piperazin-1-yl]methylene]amino]methylene]amino]hexyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid CAS Name: 2-[4-[(E)-amino-[amino-[6-[[amino-[(E)-[amino-[4-(6-carboxy-3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a]quinolin-2-yl)-1-piperazinyl]methylidene]amino]methylidene]amino]hexylimino]methyl]iminomethyl]-1-piperazinyl]-3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid IUPAC Name: 2-[4-[(E)-N'-[N'-[6-[[amino-[(E)-[amino-[4-(6-carboxy-3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a]quinolin-2-yl)piperazin-1-yl]methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]carbamimidoyl]piperazin-1-yl]-3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Traditional Name: 2-[4-[(E)-N'-[N'-[6-[[amino-[(E)-[amino-[4-(6-carboxy-3-fluoro-5-keto-[1,3]benzothiazolo[3,2-a]quinolin-2-yl)piperazino]methylene]amino]methylene]amino]hexyl]amidino]amidino]piperazino]-3-fluoro-5-keto-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid Formula: C50H50F2N14O6S2 MolecularWeight: 1045.149006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C3C(=C2)N4C5=CC=CC=C5SC4=C(C3=O)C(=O)O)F)C(=NC(=NCCCCCCN=C(N)N=C(N)N6CCN(CC6)C7=C(C=C8C(=C7)N9C1=CC=CC=C1SC9=C(C8=O)C(=O)O)F)N)N

Isomeric SMILES

C1N(CCN(C1)/C(=N/C(=NCCCCCCN=C(/N=C(/N2CCN(CC2)C3=C(C=C4C(=O)C(=C5SC6=CC=CC=C6N5C4=C3)C(=O)O)F)\N)N)N)/N)C7=C(C=C8C(=O)C(=C9SC1=CC=CC=C1N9C8=C7)C(=O)O)F

InChI

InChI=1S/C50H50F2N14O6S2/c51-29-23-27-33(65-31-9-3-5-11-37(31)73-43(65)39(41(27)67)45(69)70)25-35(29)61-15-19-63(20-16-61)49(55)59-47(53)57-13-7-1-2-8-14-58-48(54)60-50(56)64-21-17-62(18-22-64)36-26-34-28(24-30(36)52)42(68)40(46(71)72)44-66(34)32-10-4-6-12-38(32)74-44/h3-6,9-12,23-26H,1-2,7-8,13-22H2,(H,69,70)(H,71,72)(H4,53,55,57,59)(H4,54,56,58,60)