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3-azaniumylpropyl-[4-[3-[4-[4-[1-[3-[3-[3-[1-[4-[4-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylamino]-4-oxidanylidene-butoxy]-5-methoxy-2-nitro-phenyl]ethoxy]-3-oxidanylidene-propoxy]-2-[[3-[1-[4-[4-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylamino]-4-oxidanylidene-butoxy]-5-methoxy-2-nitro-phenyl]ethoxy]-3-oxidanylidene-propoxy]methyl]-2-(phenylmethoxycarbonylamino)propoxy]propanoyloxy]ethyl]-2-methoxy-5-nitro-phenoxy]butanoylamino]propylazaniumyl]butyl]azanium nonachloride

Systemtic Name:	3-azaniumylpropyl-[4-[3-[4-[4-[1-[3-[3-[3-[1-[4-[4-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylamino]-4-oxidanylidene-butoxy]-5-methoxy-2-nitro-phenyl]ethoxy]-3-oxidanylidene-propoxy]-2-[[3-[1-[4-[4-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylamino]-4-oxidanylidene-butoxy]-5-methoxy-2-nitro-phenyl]ethoxy]-3-oxidanylidene-propoxy]methyl]-2-(phenylmethoxycarbonylamino)propoxy]propanoyloxy]ethyl]-2-methoxy-5-nitro-phenoxy]butanoylamino]propylazaniumyl]butyl]azanium nonachloride
Openeye Name:	3-azaniumylpropyl-[4-[3-[4-[4-[1-[3-[3-[3-[1-[4-[4-[3-[4-(3-azaniumylpropylammonio)butylammonio]propylamino]-4-oxo-butoxy]-5-methoxy-2-nitro-phenyl]ethoxy]-3-oxo-propoxy]-2-[[3-[1-[4-[4-[3-[4-(3-azaniumylpropylammonio)butylammonio]propylamino]-4-oxo-butoxy]-5-methoxy-2-nitro-phenyl]ethoxy]-3-oxo-propoxy]methyl]-2-(benzyloxycarbonylamino)propoxy]propanoyloxy]ethyl]-2-methoxy-5-nitro-phenoxy]butanoylamino]propylammonio]butyl]ammonium nonachloride
CAS Name:	3-ammoniopropyl-[4-[3-[[4-[4-[1-[3-[3-[3-[1-[4-[4-[3-[4-(3-ammoniopropylammonio)butylammonio]propylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethoxy]-3-oxopropoxy]-2-[[3-[1-[4-[4-[3-[4-(3-ammoniopropylammonio)butylammonio]propylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethoxy]-3-oxopropoxy]methyl]-2-(phenylmethoxycarbonylamino)propoxy]-1-oxopropoxy]ethyl]-2-methoxy-5-nitrophenoxy]-1-oxobutyl]amino]propylammonio]butyl]ammonium nonachloride
IUPAC Name:	3-azaniumylpropyl-[4-[3-[4-[4-[1-[3-[3-[3-[1-[4-[4-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethoxy]-3-oxopropoxy]-2-[[3-[1-[4-[4-[3-[4-(3-azaniumylpropylazaniumyl)butylazaniumyl]propylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethoxy]-3-oxopropoxy]methyl]-2-(phenylmethoxycarbonylamino)propoxy]propanoyloxy]ethyl]-2-methoxy-5-nitrophenoxy]butanoylamino]propylazaniumyl]butyl]azanium nonachloride
Traditional Name:	3-ammoniopropyl-[4-[3-[4-[4-[1-[3-[3-[3-[1-[4-[4-[3-[4-(3-ammoniopropylammonio)butylammonio]propylamino]-4-keto-butoxy]-5-methoxy-2-nitro-phenyl]ethoxy]-3-keto-propoxy]-2-[[3-[1-[4-[4-[3-[4-(3-ammoniopropylammonio)butylammonio]propylamino]-4-keto-butoxy]-5-methoxy-2-nitro-phenyl]ethoxy]-3-keto-propoxy]methyl]-2-(benzyloxycarbonylamino)propoxy]propanoyloxy]ethyl]-2-methoxy-5-nitro-phenoxy]butanoylamino]propylammonio]butyl]ammonium nonachloride
Formula:	C₉₀H₁₅₅Cl₉N₁₆O₂₆
MolecularWeight:	2196.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])OC)OC(=O)CCOCC(COCCC(=O)OC(C)C2=CC(=C(C=C2[N+](=O)[O-])OCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])OC)(COCCC(=O)OC(C)C3=CC(=C(C=C3[N+](=O)[O-])OCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])OC)NC(=O)OCC4=CC=CC=C4.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

InChI

InChI=1S/C90H146N16O26.9ClH/c1-67(71-57-77(120-4)80(60-74(71)104(114)115)126-51-16-27-83(107)100-48-22-45-97-39-13-10-36-94-42-19-33-91)130-86(110)30-54-123-64-90(103-89(113)129-63-70-25-8-7-9-26-70,65-124-55-31-87(111)131-68(2)72-58-78(121-5)81(61-75(72)105(116)117)127-52-17-28-84(108)101-49-23-46-98-40-14-11-37-95-43-20-34-92)66-125-56-32-88(112)132-69(3)73-59-79(122-6)82(62-76(73)106(118)119)128-53-18-29-85(109)102-50-24-47-99-41-15-12-38-96-44-21-35-93;;;;;;;;;/h7-9,25-26,57-62,67-69,94-99H,10-24,27-56,63-66,91-93H2,1-6H3,(H,100,107)(H,101,108)(H,102,109)(H,103,113);9*1H

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