Chem
J-GLOBAL ID：200907005478298619   Nikkaji number：J2.294.242E

[(3S,4R)-1,1-Difluoro-3-(hexanoylamino)-4-(benzyloxycarbonyloxy)undecyl]phosphonic acid diethyl ester

[(3S,4R)-1,1-ジフルオロ-3-(ヘキサノイルアミノ)-4-(ベンジルオキシカルボニルオキシ)ウンデシル]ホスホン酸ジエチル
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： C29H48F2NO7P
Molecular formula furigana： C29-H48-F2-N-O7-P
Molecular weight： 591.674
InChI： InChI=1S/C29H48F2NO7P/c1-5-9-11-12-17-20-26(39-28(34)36-23-24-18-15-13-16-19-24)25(32-27(33)21-14-10-6-2)22-29(30,31)40(35,37-7-3)38-8-4/h13,15-16,18-19,25-26H,5-12,14,17,20-23H2,1-4H3,(H,32,33)/t25-,26+/m0/s1
InChI key： JJTTZKNZAZJJBF-IZZNHLLZSA-N
SMILES： CCCCCCC[C@@H](OC(=O)OCc1ccccc1)[C@H](CC(F)(F)P(=O)(OCC)OCC)NC(=O)CCCCC
Systematic name  (3)：
  • [(3S,4R)-1,1-ジフルオロ-3-(ヘキサノイルアミノ)-4-(ベンジルオキシカルボニルオキシ)ウンデシル]ホスホン酸ジエチル
  • ジエチル (3S,4R)-4-{[(ベンジルオキシ)カルボニル]オキシ}-1,1-ジフルオロ-3-ヘキサンアミドウンデカン-1-ホスホナート
  • diethyl (3S,4R)-4-{[(benzyloxy)carbonyl]oxy}-1,1-difluoro-3-hexanamidoundecane-1-phosphonate
Other name (1)：
  • [(3S,4R)-1,1-Difluoro-3-(hexanoylamino)-4-(benzyloxycarbonyloxy)undecyl]phosphonic acid diethyl ester
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