Chem
J-GLOBAL ID：200907045391191160   Nikkaji number：J2.147.457F

N-(Ethylcarbamoyl)-N-(3-dimethylaminopropyl)-α-[4-(trifluoroacetylamino)benzyl]phosphonamidic acid (1R,2R)-2-(dichloroacetylamino)-3-hydroxy-1-(4-nitrophenyl)propyl ester

N-(エチルカルバモイル)-N-(3-ジメチルアミノプロピル)-α-[4-(トリフルオロアセチルアミノ)ベンジル]ホスホンアミド酸(1R,2R)-2-(ジクロロアセチルアミノ)-3-ヒドロキシ-1-(4-ニトロフェニル)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： C28H36Cl2F3N5[N+]O7[O-]P
Molecular formula furigana： C28-H36-CL2-F3-N6-O8-P
Molecular weight： 743.500
InChI： InChI=1S/C28H36Cl2F3N6O8P/c1-4-34-27(43)38(15-5-14-37(2)3)48(46,17-18-6-10-20(11-7-18)35-26(42)28(31,32)33)47-23(22(16-40)36-25(41)24(29)30)19-8-12-21(13-9-19)39(44)45/h6-13,22-24,40H,4-5,14-17H2,1-3H3,(H,34,43)(H,35,42)(H,36,41)/t22-,23-,48?/m1/s1
InChI key： SITLNJAUKLVJOA-NOVOQQORSA-N
SMILES： CCNC(=O)N(CCCN(C)C)P(=O)(Cc1ccc(NC(=O)C(F)(F)F)cc1)O[C@@H]([C@@H](CO)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • N-(エチルカルバモイル)-N-(3-ジメチルアミノプロピル)-α-[4-(トリフルオロアセチルアミノ)ベンジル]ホスホンアミド酸(1R,2R)-2-(ジクロロアセチルアミノ)-3-ヒドロキシ-1-(4-ニトロフェニル)プロピル
  • 2,2-ジクロロ-N-[(1R,2R)-1-[({[3-(ジメチルアミノ)プロピル](エチルカルバモイル)アミノ}({[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-ヒドロキシ-1-(4-ニトロフェニル)プロパン-2-イル]アセトアミド
  • 2,2-dichloro-N-[(1R,2R)-1-[({[3-(dimethylamino)propyl](ethylcarbamoyl)amino}({[4-(2,2,2-trifluoroacetamido)phenyl]methyl})phosphoryl)oxy]-3-hydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Other name (1)：
  • N-(Ethylcarbamoyl)-N-(3-dimethylaminopropyl)-α-[4-(trifluoroacetylamino)benzyl]phosphonamidic acid (1R,2R)-2-(dichloroacetylamino)-3-hydroxy-1-(4-nitrophenyl)propyl ester
Thsaurus map：
Thesaurus Map

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