Chem
J-GLOBAL ID：200907017129661097   Nikkaji number：J2.646.190A

[(1S,2R)-1-Methyl-1-nitro-2-[(tert-butyloxycarbonyl)amino]-2-(4-phenoxyphenyl)ethyl]phosphonic acid bis(1-isopropyl-2-methylpropyl) ester

tert-ブチル N-[(1R,2S)-2-{ビス[(2,4-ジメチルペンタン-3-イル)オキシ]ホスホリル}-2-ニトロ-1-(4-フェノキシフェニル)プロピル]カルバマート
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： C34H53N[N+]O7[O-]P
Molecular formula furigana： C34-H53-N2-O8-P
Molecular weight： 648.778
InChI： InChI=1S/C34H53N2O8P/c1-22(2)29(23(3)4)43-45(40,44-30(24(5)6)25(7)8)34(12,36(38)39)31(35-32(37)42-33(9,10)11)26-18-20-28(21-19-26)41-27-16-14-13-15-17-27/h13-25,29-31H,1-12H3,(H,35,37)/t31-,34+/m1/s1
InChI key： WWDCVFAJONHPBO-FJQKOURKSA-N
SMILES： CC(C)C(OP(=O)(OC(C(C)C)C(C)C)[C@@](C)([C@H](NC(=O)OC(C)(C)C)c1ccc(Oc2ccccc2)cc1)[N+](=O)[O-])C(C)C
Systematic name  (3)：
  • [(1S,2R)-1-メチル-1-ニトロ-2-[(tert-ブチルオキシカルボニル)アミノ]-2-(4-フェノキシフェニル)エチル]ホスホン酸ビス(1-イソプロピル-2-メチルプロピル)
  • tert-ブチル N-[(1R,2S)-2-{ビス[(2,4-ジメチルペンタン-3-イル)オキシ]ホスホリル}-2-ニトロ-1-(4-フェノキシフェニル)プロピル]カルバマート
  • tert-butyl N-[(1R,2S)-2-{bis[(2,4-dimethylpentan-3-yl)oxy]phosphoryl}-2-nitro-1-(4-phenoxyphenyl)propyl]carbamate
Other name (1)：
  • [(1S,2R)-1-Methyl-1-nitro-2-[(tert-butyloxycarbonyl)amino]-2-(4-phenoxyphenyl)ethyl]phosphonic acid bis(1-isopropyl-2-methylpropyl) ester
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