Chem
J-GLOBAL ID：200907001240227327   Nikkaji number：J2.291.700E

(1,2-Phenylene)bis[N-[10-[[[2-(dihydroxyboryl)-5-fluorobenzyl](methyl)amino]methyl]-9-anthrylmethyl]-N-methylacetamide]

(1,2-フェニレン)ビス[N-[10-[[[2-(ジヒドロキシボリル)-5-フルオロベンジル](メチル)アミノ]メチル]-9-アントリルメチル]-N-メチルアセトアミド]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C60H58B2F2N4O6
Molecular formula furigana： C60-H58-B2-F2-N4-O6
Molecular weight： 990.760
InChI： InChI=1S/C60H58B2F2N4O6/c1-65(33-41-29-43(63)25-27-57(41)61(71)72)35-53-45-17-7-11-21-49(45)55(50-22-12-8-18-46(50)53)37-67(3)59(69)31-39-15-5-6-16-40(39)32-60(70)68(4)38-56-51-23-13-9-19-47(51)54(48-20-10-14-24-52(48)56)36-66(2)34-42-30-44(64)26-28-58(42)62(73)74/h5-30,71-74H,31-38H2,1-4H3
InChI key： ZAORGORQDWRBQX-UHFFFAOYSA-N
SMILES： CN(Cc1cc(F)ccc1B(O)O)Cc1c2ccccc2c(CN(C)C(=O)Cc2ccccc2CC(=O)N(C)Cc2c3ccccc3c(CN(C)Cc3cc(F)ccc3B(O)O)c3ccccc23)c2ccccc12
Systematic name  (3)：
  • (1,2-フェニレン)ビス[N-[10-[[[2-(ジヒドロキシボリル)-5-フルオロベンジル](メチル)アミノ]メチル]-9-アントリルメチル]-N-メチルアセトアミド]
  • [2-({[(10-{[2-(2-{[({10-[({[2-(ジヒドロキシボラニル)-5-フルオロフェニル]メチル}(メチル)アミノ)メチル]アントラセン-9-イル}メチル)(メチル)カルバモイル]メチル}フェニル)-N-メチルアセトアミド]メチル}アントラセン-9-イル)メチル](メチル)アミノ}メチル)-4-フルオロフェニル]ボロン酸
  • [2-({[(10-{[2-(2-{[({10-[({[2-(dihydroxyboranyl)-5-fluorophenyl]methyl}(methyl)amino)methyl]anthracen-9-yl}methyl)(methyl)carbamoyl]methyl}phenyl)-N-methylacetamido]methyl}anthracen-9-yl)methyl](methyl)amino}methyl)-4-fluorophenyl]boronic acid
Other name (1)：
  • (1,2-Phenylene)bis[N-[10-[[[2-(dihydroxyboryl)-5-fluorobenzyl](methyl)amino]methyl]-9-anthrylmethyl]-N-methylacetamide]
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