Chem
J-GLOBAL ID：200907012459053652   Nikkaji number：J1.294.372E

N-[11-[2-Hydroxy-3-[[2-(trimethylaminio)ethyl]oxylato(oxo)phosphoranyloxy]propoxy]undecyl]-3-[1-(difluoroboryl)-5-[(3,5-dimethyl-2H-pyrrole-2-ylidene)methyl]-1H-pyrrole-2-yl]propanamide

3-[(11-{3-[1-(ジフルオロボラニル)-5-[(3,5-ジメチル-2H-ピロール-2-イリデン)メチル]-1H-ピロール-2-イル]プロパンアミド}ウンデシル)オキシ]-2-ヒドロキシプロピル [2-(トリメチルアザニウミル)エチル]ホスホナート
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： C33H56BF2N3[N+]O5[O-]P
Molecular formula furigana： C33-H56-B-F2-N4-O6-P
Molecular weight： 684.610
InChI： InChI=1S/C33H56BF2N4O6P/c1-27-23-28(2)38-32(27)24-30-16-15-29(39(30)34(35)36)17-18-33(42)37-19-13-11-9-7-6-8-10-12-14-21-45-25-31(41)26-46-47(43,44)22-20-40(3,4)5/h15-16,23-24,31,41H,6-14,17-22,25-26H2,1-5H3,(H-,37,42,43,44)
InChI key： JDWFZHILJJUUSX-UHFFFAOYSA-N
SMILES： CC1=NC(=Cc2ccc(CCC(=O)NCCCCCCCCCCCOCC(O)COP(=O)([O-])CC[N+](C)(C)C)n2B(F)F)C(=C1)C
Systematic name  (3)：
  • N-[11-[2-ヒドロキシ-3-[[2-(トリメチルアミニオ)エチル]オキシラト(オキソ)ホスホラニルオキシ]プロポキシ]ウンデシル]-3-[1-(ジフルオロボリル)-5-[(3,5-ジメチル-2H-ピロール-2-イリデン)メチル]-1H-ピロール-2-イル]プロパンアミド
  • 3-[(11-{3-[1-(ジフルオロボラニル)-5-[(3,5-ジメチル-2H-ピロール-2-イリデン)メチル]-1H-ピロール-2-イル]プロパンアミド}ウンデシル)オキシ]-2-ヒドロキシプロピル [2-(トリメチルアザニウミル)エチル]ホスホナート
  • 3-[(11-{3-[1-(difluoroboranyl)-5-[(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]propanamido}undecyl)oxy]-2-hydroxypropyl [2-(trimethylazaniumyl)ethyl]phosphonate
Other name (1)：
  • N-[11-[2-Hydroxy-3-[[2-(trimethylaminio)ethyl]oxylato(oxo)phosphoranyloxy]propoxy]undecyl]-3-[1-(difluoroboryl)-5-[(3,5-dimethyl-2H-pyrrole-2-ylidene)methyl]-1H-pyrrole-2-yl]propanamide
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