N-[3-[2-(5-fluoranyl-1H-indol-3-yl)ethanoylamino]propyl]-methyl-N-[3-[[methyl(oxidanyl)boranyl]-[3-[[methyl(oxidanyl)boranyl]-[4-[[methyl(oxidanyl)boranyl]-[3-[[methyl(oxidanyl)boranyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]boronamidic acid

Systemtic Name: N-[3-[2-(5-fluoranyl-1H-indol-3-yl)ethanoylamino]propyl]-methyl-N-[3-[[methyl(oxidanyl)boranyl]-[3-[[methyl(oxidanyl)boranyl]-[4-[[methyl(oxidanyl)boranyl]-[3-[[methyl(oxidanyl)boranyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]boronamidic acid Openeye Name: N-[3-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]propyl]-N-[3-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]-[4-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]-methyl-boronamidic acid CAS Name: N-[3-[[2-(5-fluoro-1H-indol-3-yl)-1-oxoethyl]amino]propyl]-N-[3-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]-[4-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]-methylboronamidic acid IUPAC Name: N-[3-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]propyl]-N-[3-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]-[4-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]-methylboronamidic acid Traditional Name: N-[3-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]propyl]-N-[3-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]-[4-[[hydroxy(methyl)boranyl]-[3-[[hydroxy(methyl)boranyl]amino]propyl]amino]butyl]amino]propyl]amino]propyl]-methyl-boronamidic acid Formula: C31H61B5FN7O6 MolecularWeight: 700.912743

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NCCCN(B(C)O)CCCCN(B(C)O)CCCN(B(C)O)CCCN(B(C)O)CCCNC(=O)CC1=CNC2=C1C=C(C=C2)F)O

Isomeric SMILES

B(C)(NCCCN(B(C)O)CCCCN(B(C)O)CCCN(B(C)O)CCCN(B(C)O)CCCNC(=O)CC1=CNC2=C1C=C(C=C2)F)O

InChI

InChI=1S/C31H61B5FN7O6/c1-32(46)40-15-9-19-41(33(2)47)16-6-7-17-42(34(3)48)20-10-22-44(36(5)50)23-11-21-43(35(4)49)18-8-14-38-31(45)24-27-26-39-30-13-12-28(37)25-29(27)30/h12-13,25-26,39-40,46-50H,6-11,14-24H2,1-5H3,(H,38,45)