Chem
J-GLOBAL ID：200907083829297593   Nikkaji number：J1.945.974H

4-[(Trifluoroacetyl)amino]benzylphosphonic acid (1R,2R)-1-(4-nitrophenyl)-2-[(dichloroacetyl)amino]-3-[[[(carboxy)methyl]amino]carbonyloxy]propyl ester

4-[(トリフルオロアセチル)アミノ]ベンジルホスホン酸(1R,2R)-1-(4-ニトロフェニル)-2-[(ジクロロアセチル)アミノ]-3-[[[(カルボキシ)メチル]アミノ]カルボニルオキシ]プロピル
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： C23H22Cl2F3N3[N+]O10[O-]P
Molecular formula furigana： C23-H22-CL2-F3-N4-O11-P
Molecular weight： 689.310
InChI： InChI=1S/C23H22Cl2F3N4O11P/c24-19(25)20(35)31-16(10-42-22(37)29-9-17(33)34)18(13-3-7-15(8-4-13)32(38)39)43-44(40,41)11-12-1-5-14(6-2-12)30-21(36)23(26,27)28/h1-8,16,18-19H,9-11H2,(H,29,37)(H,30,36)(H,31,35)(H,33,34)(H,40,41)/t16-,18-/m1/s1
InChI key： RSPBLSIQRKMSHM-SJLPKXTDSA-N
SMILES： OC(=O)CNC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OP(=O)(O)Cc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 4-[(トリフルオロアセチル)アミノ]ベンジルホスホン酸(1R,2R)-1-(4-ニトロフェニル)-2-[(ジクロロアセチル)アミノ]-3-[[[(カルボキシ)メチル]アミノ]カルボニルオキシ]プロピル
  • 2-({[(2R,3R)-2-(2,2-ジクロロアセトアミド)-3-{[ヒドロキシ({[4-(2,2,2-トリフルオロアセトアミド)フェニル]メチル})ホスホリル]オキシ}-3-(4-ニトロフェニル)プロポキシ]カルボニル}アミノ)酢酸
  • 2-({[(2R,3R)-2-(2,2-dichloroacetamido)-3-{[hydroxy({[4-(2,2,2-trifluoroacetamido)phenyl]methyl})phosphoryl]oxy}-3-(4-nitrophenyl)propoxy]carbonyl}amino)acetic acid
Other name (1)：
  • 4-[(Trifluoroacetyl)amino]benzylphosphonic acid (1R,2R)-1-(4-nitrophenyl)-2-[(dichloroacetyl)amino]-3-[[[(carboxy)methyl]amino]carbonyloxy]propyl ester
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