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4-[[4-[2-[4-[bis[3-[2-[bis[3-(2-azanylethylamino)-3-oxidanylidene-propyl]amino]ethylamino]-3-oxidanylidene-propyl]carbamoyl]phenyl]ethynyl]phenyl]carbonylamino]-N,N'-didodecyl-4-[3-(dodecylamino)-3-oxidanylidene-propyl]heptanediamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name:	4-[[4-[2-[4-[bis[3-[2-[bis[3-(2-azanylethylamino)-3-oxidanylidene-propyl]amino]ethylamino]-3-oxidanylidene-propyl]carbamoyl]phenyl]ethynyl]phenyl]carbonylamino]-N,N'-didodecyl-4-[3-(dodecylamino)-3-oxidanylidene-propyl]heptanediamide; 2,2,2-tris(fluoranyl)ethanoic acid
Openeye Name:	4-[[4-[2-[4-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxo-propyl]amino]ethylamino]-3-oxo-propyl]carbamoyl]phenyl]ethynyl]benzoyl]amino]-N,N'-didodecyl-4-[3-(dodecylamino)-3-oxo-propyl]heptanediamide; 2,2,2-trifluoroacetic acid
CAS Name:	4-[[[4-[2-[4-[[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-oxomethyl]phenyl]ethynyl]phenyl]-oxomethyl]amino]-N,N'-didodecyl-4-[3-(dodecylamino)-3-oxopropyl]heptanediamide; 2,2,2-trifluoroacetic acid
IUPAC Name:	4-[[4-[2-[4-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]carbamoyl]phenyl]ethynyl]benzoyl]amino]-N,N'-didodecyl-4-[3-(dodecylamino)-3-oxopropyl]heptanediamide; 2,2,2-trifluoroacetic acid
Traditional Name:	4-[[4-[2-[4-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-keto-propyl]amino]ethylamino]-3-keto-propyl]carbamoyl]phenyl]ethynyl]benzoyl]amino]-4-[3-keto-3-(laurylamino)propyl]-N,N'-dilauryl-pimelamide; 2,2,2-trifluoroacetic acid
Formula:	C₁₀₀H₁₆₅F₁₂N₁₇O₁₉
MolecularWeight:	2137.463438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)CCC(CCC(=O)NCCCCCCCCCCCC)(CCC(=O)NCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)N(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

InChI

InChI=1S/C92H161N17O11.4C2HF3O2/c1-4-7-10-13-16-19-22-25-28-31-60-97-81(110)44-53-92(54-45-82(111)98-61-32-29-26-23-20-17-14-11-8-5-2,55-46-83(112)99-62-33-30-27-24-21-18-15-12-9-6-3)106-90(119)79-40-36-77(37-41-79)34-35-78-38-42-80(43-39-78)91(120)109(73-51-88(117)104-67-75-107(69-47-84(113)100-63-56-93)70-48-85(114)101-64-57-94)74-52-89(118)105-68-76-108(71-49-86(115)102-65-58-95)72-50-87(116)103-66-59-96;4*3-2(4,5)1(6)7/h36-43H,4-33,44-76,93-96H2,1-3H3,(H,97,110)(H,98,111)(H,99,112)(H,100,113)(H,101,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H,106,119);4*(H,6,7)

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