[2-[1-[1-[[2-[2,4-bis(fluoranyl)phenyl]-4-[4-[4-[5-oxidanylidene-1-(2-oxidanylpentan-3-yl)-1,2,4-triazol-4-yl]piperazin-1-yl]phenoxy]oxolan-2-yl]methyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methyl-amino]-4-chloranyl-phenyl]methyl 2-(methylamino)ethanoate

Systemtic Name: [2-[1-[1-[[2-[2,4-bis(fluoranyl)phenyl]-4-[4-[4-[5-oxidanylidene-1-(2-oxidanylpentan-3-yl)-1,2,4-triazol-4-yl]piperazin-1-yl]phenoxy]oxolan-2-yl]methyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methyl-amino]-4-chloranyl-phenyl]methyl 2-(methylamino)ethanoate Openeye Name: [4-chloro-2-[1-[1-[[2-(2,4-difluorophenyl)-4-[4-[4-[1-(1-ethyl-2-hydroxy-propyl)-5-oxo-1,2,4-triazol-4-yl]piperazin-1-yl]phenoxy]tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methyl-amino]phenyl]methyl 2-(methylamino)acetate CAS Name: 2-(methylamino)acetic acid [4-chloro-2-[[1-[1-[[2-(2,4-difluorophenyl)-4-[4-[4-[1-(2-hydroxypentan-3-yl)-5-oxo-1,2,4-triazol-4-yl]-1-piperazinyl]phenoxy]-2-oxolanyl]methyl]-1,2,4-triazol-4-ium-4-yl]ethoxy-oxomethyl]-methylamino]phenyl]methyl ester IUPAC Name: [4-chloro-2-[1-[1-[[2-(2,4-difluorophenyl)-4-[4-[4-[1-(2-hydroxypentan-3-yl)-5-oxo-1,2,4-triazol-4-yl]piperazin-1-yl]phenoxy]oxolan-2-yl]methyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]phenyl]methyl 2-(methylamino)acetate Traditional Name: 2-(methylamino)acetic acid [4-chloro-2-[1-[1-[[2-(2,4-difluorophenyl)-4-[4-[4-[1-(1-ethyl-2-hydroxy-propyl)-5-keto-1,2,4-triazol-4-yl]piperazino]phenoxy]tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methyl-amino]benzyl] ester Formula: C44H54ClF2N10O8+ MolecularWeight: 924.411566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)O)N1C(=O)N(C=N1)N2CCN(CC2)C3=CC=C(C=C3)OC4CC(OC4)(CN5C=[N+](C=N5)C(C)OC(=O)N(C)C6=C(C=CC(=C6)Cl)COC(=O)CNC)C7=C(C=C(C=C7)F)F

Isomeric SMILES

CCC(C(C)O)N1C(=O)N(C=N1)N2CCN(CC2)C3=CC=C(C=C3)OC4CC(OC4)(CN5C=[N+](C=N5)C(C)OC(=O)N(C)C6=C(C=CC(=C6)Cl)COC(=O)CNC)C7=C(C=C(C=C7)F)F

InChI

InChI=1S/C44H54ClF2N10O8/c1-6-39(29(2)58)57-42(60)56(27-50-57)55-17-15-52(16-18-55)34-10-12-35(13-11-34)65-36-21-44(63-24-36,37-14-9-33(46)20-38(37)47)25-54-28-53(26-49-54)30(3)64-43(61)51(5)40-19-32(45)8-7-31(40)23-62-41(59)22-48-4/h7-14,19-20,26-30,36,39,48,58H,6,15-18,21-25H2,1-5H3/q+1