3-[[4-[[4-[[(E)-4-[[5-[[5-[3-(dimethylazaniumyl)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-but-2-enoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-[[4-[[4-[[(E)-4-[[5-[[5-[3-(dimethylazaniumyl)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-but-2-enoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propyl-dimethyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-[[4-[[4-[[(E)-4-[[5-[[5-[3-(dimethylammonio)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxo-but-2-enoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: 3-[[[4-[[[4-[[(E)-4-[[5-[[[5-[[3-(dimethylammonio)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-1,4-dioxobut-2-enyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]propyl-dimethylammonium; 2,2,2-trifluoroacetate IUPAC Name: 3-[[4-[[4-[[(E)-4-[[5-[[5-[3-(dimethylazaniumyl)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobut-2-enoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propyl-dimethylazanium; 2,2,2-trifluoroacetate Traditional Name: 3-[[4-[[4-[[(E)-4-[[5-[[5-[3-(dimethylammonio)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-keto-but-2-enoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propyl-dimethyl-ammonium; 2,2,2-trifluoroacetate Formula: C42H54F6N12O10 MolecularWeight: 1000.942979

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC[NH+](C)C)C)NC(=O)C=CC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC[NH+](C)C)C)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC[NH+](C)C)C)NC(=O)/C=C/C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC[NH+](C)C)C)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C38H52N12O6.2C2HF3O2/c1-45(2)15-9-13-39-35(53)29-19-27(23-47(29)5)43-37(55)31-17-25(21-49(31)7)41-33(51)11-12-34(52)42-26-18-32(50(8)22-26)38(56)44-28-20-30(48(6)24-28)36(54)40-14-10-16-46(3)4;2*3-2(4,5)1(6)7/h11-12,17-24H,9-10,13-16H2,1-8H3,(H,39,53)(H,40,54)(H,41,51)(H,42,52)(H,43,55)(H,44,56);2*(H,6,7)/b12-11+;;