[2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 6-[[2-[[1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: [2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propyl] 6-[[2-[[1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 6-[[2-[[1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carbonyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[[2-[[[1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinyl]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester IUPAC Name: [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 6-[[2-[[1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[[2-[[1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carbonyl]amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester Formula: C44H47Cl2FN8O10S MolecularWeight: 969.860983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NC(C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(C(S6)(C)C)C(=O)OCC(C(C7=CC=C(C=C7)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NC(C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(C(S6)(C)C)C(=O)OCC(C(C7=CC=C(C=C7)[N+](=O)[O-])O)NC(=O)C(Cl)Cl

InChI

InChI=1S/C44H47Cl2FN8O10S/c1-5-52-21-27(35(57)26-19-28(47)31(20-30(26)52)53-17-15-51(4)16-18-53)38(58)49-32(23-9-7-6-8-10-23)39(59)50-33-41(61)54-36(44(2,3)66-42(33)54)43(62)65-22-29(48-40(60)37(45)46)34(56)24-11-13-25(14-12-24)55(63)64/h6-14,19-21,29,32-34,36-37,42,56H,5,15-18,22H2,1-4H3,(H,48,60)(H,49,58)(H,50,59)