1028252-16-5 ((1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarbox amide 4-methylbenzenesulfonate (1:1),(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide 4-methylbenzenesulfonate)

CAS号:
1028252-16-5
中文名称:
(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarbox amide 4-methylbenzenesulfonate (1:1)
英文名称:
(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide 4-methylbenzenesulfonate
分子式:
C16H22N2O6S2
分子量:
402.485682010651

(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarbox amide 4-methylbenzenesulfonate (1:1)(1028252-16-5)名称与标识符

名称

中文别名:
SIMEPREVIR中间体;阿那匹韦中间体VI;(1R,2S)-1-氨基-N-(环丙基磺酰基)-2-乙烯基环丙烷甲酰胺对甲苯磺酸盐;阿拉匹韦中间体6;格佐匹韦中间体4;阿那匹韦中间体 3;(1R,2S)-1-氨基-N-(环丙基磺酰基)-2-乙烯基环丙烷甲酰胺对甲苯磺酸盐(1:1);
英文别名:
(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarbox amide 4-methylbenzenesulfonate (1:1);(1R,2S)-1-aMino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxaMide 4-Methylbenzenesulfonate;CyclopropanecarboxaMide, 1-aMino-N-(cyclopropylsulfonyl)-2-ethenyl-,(1R,2S)-, 4-Methylbenzenesulfonate(1:1);MK-5172 INTERMEDIATEI2;EOS-61354;Asunaprevir Intermediate 3;Grazoprevir Intermediate 4;(1R,2S)1-AMINO-N-(CYCLOPROPYLSULFONYL)-2-ETHENYL-CYCLOPROPANECARBOXAMIDE PTSA;(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropane-1-carboxamide 4-toulenesulfonate;(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide, p-toluenesulfonate salt;(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropane-1-carboxamide4-methylbenzenesulfonate;(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide 4-methylbenzenesulfonate;CyclopropanecarboxaMide, 1-aMino-N-(cyclopropylsulfonyl)-2-ethenyl-,(1R,2S)-, 4-Methylbenzenesulfonate;(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide 4-methylbenzenesulfonate (1:1);(1R,2S)-1-amino-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide;4-methylbenzenesulfonic acid;(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropanaminium 4-methylbenzenesulfonate;(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropane-1-carboxamide 4-methylbenzenesul;(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropane-1-carboxamide 4-methylbenzenesulfonate;SCHEMBL2143490;C16H22N2O6S2;(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide4-methylbenzenesulfonate;CS-M2340;AKOS025287363;A854744;WILXYULVXUTJDF-SOWVLMPRSA-N;1028252-16-5;MFCD25563235;(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide p-toluenesulfonate salt;AC-28938;(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarbox amide 4-methylbenzenesulfonate;CyclopropanecarboxaMide, 1-aMino-N-(cyclopropylsulfonyl)-2-ethenyl-,(1R,2S)-, 4-Methylbenzenesulfonate(1;AMY19524;(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide-p-toluenesulfonic acid salt;

标识符

MDL:
MFCD25563235
InChIKey:
WILXYULVXUTJDF-SOWVLMPRSA-N
Inchi:
1S/C9H14N2O3S.C7H8O3S/c1-2-6-5-9(6,10)8(12)11-15(13,14)7-3-4-7;1-6-2-4-7(5-3-6)11(8,9)10/h2,6-7H,1,3-5,10H2,(H,11,12);2-5H,1H3,(H,8,9,10)/t6-,9-;/m1./s1
SMILES:
S(C1CC1)(NC([C@]1(C[C@H]1C=C)N)=O)(=O)=O.S(C1C=CC(C)=CC=1)(=O)(=O)O

(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarbox amide 4-methylbenzenesulfonate (1:1)(1028252-16-5)物化性质

计算特性

  • 精确分子量 : 402.09192877g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 5
  • 同位素质量 : 402.09192877g/mol
  • 重原子数量 : 26
  • 复杂度 : 614
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 160

(1R,2S)-1-Amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarbox amide 4-methylbenzenesulfonate (1:1)(1028252-16-5)安全信息

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