Chem
J-GLOBAL ID：200907062146632047   Nikkaji number：J2.147.458D

N-(Ethylcarbamoyl)-N-(3-dimethylaminopropyl)-α-[4-(acetylamino)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-(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： C28H39Cl2N5[N+]O7[O-]P
Molecular formula furigana： C28-H39-CL2-N6-O8-P
Molecular weight： 689.530
InChI： InChI=1S/C28H39Cl2N6O8P/c1-5-31-28(40)35(16-6-15-34(3)4)45(43,18-20-7-11-22(12-8-20)32-19(2)38)44-25(24(17-37)33-27(39)26(29)30)21-9-13-23(14-10-21)36(41)42/h7-14,24-26,37H,5-6,15-18H2,1-4H3,(H,31,40)(H,32,38)(H,33,39)/t24-,25-,45?/m1/s1
InChI key： MATUIHHUGZWDEZ-VCNDOPENSA-N
SMILES： CCNC(=O)N(CCCN(C)C)P(=O)(Cc1ccc(NC(=O)C)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-(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-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-acetamidophenyl)methyl]phosphoryl)oxy]-3-hydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Other name (1)：
  • N-(Ethylcarbamoyl)-N-(3-dimethylaminopropyl)-α-[4-(acetylamino)benzyl]phosphonamidic acid (1R,2R)-2-(dichloroacetylamino)-3-hydroxy-1-(4-nitrophenyl)propyl ester
Thsaurus map：
Thesaurus Map

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