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2-[4-[(E)-2-[(5Z)-5-[[1-bis(fluoranyl)boranyl-5-thiophen-2-yl-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[2,9-dimethyl-9-[[(2S)-2-oxidanyl-3-[(2-oxidanylidene-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]decan-2-yl]ethanamide

2-[4-[(E)-2-[(5Z)-5-[[1-bis(fluoranyl)boranyl-5-thiophen-2-yl-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[2,9-dimethyl-9-[[(2S)-2-oxidanyl-3-[(2-oxidanylidene-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]decan-2-yl]ethanamide

Systemtic Name:2-[4-[(E)-2-[(5Z)-5-[[1-bis(fluoranyl)boranyl-5-thiophen-2-yl-pyrrol-2-yl]methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[2,9-dimethyl-9-[[(2S)-2-oxidanyl-3-[(2-oxidanylidene-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]decan-2-yl]ethanamide
Openeye Name:2-[4-[(E)-2-[(5Z)-5-[[1-difluoroboranyl-5-(2-thienyl)pyrrol-2-yl]methylene]pyrrol-2-yl]vinyl]phenoxy]-N-[8-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]-1,1,8-trimethyl-nonyl]acetamide
CAS Name:2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-yl-2-pyrrolyl)methylidene]-2-pyrrolyl]ethenyl]phenoxy]-N-[9-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]-2,9-dimethyldecan-2-yl]acetamide
IUPAC Name:2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-ylpyrrol-2-yl)methylidene]pyrrol-2-yl]ethenyl]phenoxy]-N-[9-[[(2S)-2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]-2,9-dimethyldecan-2-yl]acetamide
Traditional Name:2-[4-[(E)-2-[(5Z)-5-[[1-difluoroboranyl-5-(2-thienyl)pyrrol-2-yl]methylene]pyrrol-2-yl]vinyl]phenoxy]-N-[8-[[(2S)-2-hydroxy-3-[(2-keto-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]-1,1,8-trimethyl-nonyl]acetamide
Formula: C45H53BF2N6O5S
MolecularWeight: 838.812326
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Descriptors Computed from Structure

Canonical SMILES:

B(N1C(=CC=C1C2=CC=CS2)C=C3C=CC(=N3)C=CC4=CC=C(C=C4)OCC(=O)NC(C)(C)CCCCCCC(C)(C)NCC(COC5=CC=CC6=C5NC(=O)N6)O)(F)F


Isomeric SMILES

B(N1C(=CC=C1C2=CC=CS2)/C=C\3/C=CC(=N3)/C=C/C4=CC=C(C=C4)OCC(=O)NC(C)(C)CCCCCCC(C)(C)NC[C@@H](COC5=CC=CC6=C5NC(=O)N6)O)(F)F


InChI

InChI=1S/C45H53BF2N6O5S/c1-44(2,49-28-35(55)29-59-39-12-9-11-37-42(39)52-43(57)51-37)24-7-5-6-8-25-45(3,4)53-41(56)30-58-36-21-15-31(16-22-36)14-17-32-18-19-33(50-32)27-34-20-23-38(54(34)46(47)48)40-13-10-26-60-40/h9-23,26-27,35,49,55H,5-8,24-25,28-30H2,1-4H3,(H,53,56)(H2,51,52,57)/b17-14+,33-27-/t35-/m0/s1


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