198904-86-8 (2-(2S,3S)-3-(叔丁氧基)羰基氨基-2-羟基-4-苯基丁基-2-4-(2-吡啶基)苯基甲基肼羧酸叔丁酯,Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir)

CAS号:
198904-86-8
中文名称:
2-(2S,3S)-3-(叔丁氧基)羰基氨基-2-羟基-4-苯基丁基-2-4-(2-吡啶基)苯基甲基肼羧酸叔丁酯
英文名称:
Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir
分子式:
C32H42N4O5
分子量:
562.699688434601

2-(2S,3S)-3-(叔丁氧基)羰基氨基-2-羟基-4-苯基丁基-2-4-(2-吡啶基)苯基甲基肼羧酸叔丁酯(198904-86-8)名称与标识符

名称

中文别名:
2-[(2S,3S)-3-[[(叔丁氧基)羰基]氨基]-2-羟基-4-苯基丁基]-2-[[4-(2-吡啶基)苯基]甲基]肼羧酸叔丁酯;1-[4-(吡啶-2-基)苯基]-5(S)-2,5-双 [(叔丁基氧基羰基)–氨基]-4(S)-羟基l-6-苯基-2-氮杂己烷;1-[4-(吡啶-2-基)苯基]-5(S)-2,5-双[(叔丁基氧基羰基)-氨基]-4(S)-羟基l-6-苯基-2-氮杂己烷;2-[(2S,3S)-3-[[(叔丁氧基)羰基]氨基]-2-羟基-4-苯基丁基]-2-[[4-(2-吡啶基)苯基]甲基;阿扎那韦二叔丁基模拟;阿扎那韦中间体;阿扎那韦中间体4;十二氯代八氢-亚甲基-环丁并[CD]戊烯 602;2-(2S,3S)-3-(叔丁氧基)羰基氨基-2-羟基-4-苯基丁基-2-4-(2-吡啶基)苯基甲基肼羧酸叔丁酯;阿扎那韦中间体4 1KG;
英文别名:
Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir;Tert-butyl 2-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-[4-(2-pyridinyl)benzyl]hydrazinecarboxylate;N-tert-butoxycarbonylglycine N-methyl-N-methoxyamide;tert-butyl 2-((2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazincarboxylate;tert-butyl 2-((2S,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate;-2-(4-(pyridin-2-yl);tert-Butyl 2-((2S,3S);AtazanavirSulfateInterMediates-01;1-(4-(pyridin-2-yl)phenyl)-5(S)-2,5-bis((tert-butyloxy-carbonyl);phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]-,1,1-dimethylethyl ester;2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridi;-2-hydroxy-4-phenylbutyl);dimethylethoxy)carbonyl]amino]-2-hydroxy-4-;Hydrazinecarboxylic acid, 2-[(2S,3S)-3-[[(1,1-;tert-butyl 2-[(2S,3S)-3-(tert-butoxyformamido)-2-hydroxy-4-phenylbutyl]-2-[[4-(pyridin-2-yl)phenyl]methyl]hydrazine-1-carboxylate;BCP12785;tert-Butyl 2-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-{[4-(pyridin-2-yl)phenyl]methyl}hydrazine-1-carboxylate;tert-butyl N-[[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate;ZD25TA7YUL;Atazanavir di-tert-butyl analog [USP IMPURITY];UNII-ZD25TA7YUL;2-[(2S,3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl] -2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylic Acid 1,1-Dimethylethyl Ester;tert-Butyl N-[(1S,2S)-1-Benzyl-3-[(tert-butoxycarbonylamino)-[[4-(2-pyridyl)phenyl]methyl]amino]-2-hydroxy-propyl]carbamate;AC-27024;tert-Butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate.;DTXSID40477277;tert-Butyl 2-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-[4-(pyridin-2-yl)benzyl]hydrazinecarboxylate;1,1-Dimethylethyl 2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylate;A1-03405;AKOS015950829;Hydrazinecarboxylic acid, 2-((2S,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-((4-(2-pyridinyl)phenyl)methyl)-, 1,1-dimethylethyl ester;SCHEMBL2175950;tert-Butyl 2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate;ATAZANAVIR SULFATE IMPURITY J [EP IMPURITY];1-[4-(Pyridin-2-yl)phenyl]-5(S)-2,5-bis[(tert-butyloxycarbonyl)-amino]-4(S)-hydroxyl-6-phenyl-2-azahexane;tert-Butyl2-((2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinecarboxylate;2-[(2S,3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylic acid tert-butyl ester;TERT-BUTYL N-[(2S,3S)-4-{[(TERT-BUTOXYCARBONYL)AMINO]({[4-(PYRIDIN-2-YL)PHENYL]METHYL})AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE;198904-86-8;Hydrazinecarboxylic acid, 2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl ester;

标识符

MDL:
MFCD17019309
InChIKey:
KYSDBVSJLBOZDZ-NSOVKSMOSA-N
Inchi:
1S/C32H42N4O5/c1-31(2,3)40-29(38)34-27(20-23-12-8-7-9-13-23)28(37)22-36(35-30(39)41-32(4,5)6)21-24-15-17-25(18-16-24)26-14-10-11-19-33-26/h7-19,27-28,37H,20-22H2,1-6H3,(H,34,38)(H,35,39)/t27-,28-/m0/s1
SMILES:
O[C@@H](CN(CC1C=CC(C2C=CC=CN=2)=CC=1)NC(=O)OC(C)(C)C)[C@H](CC1C=CC=CC=1)NC(=O)OC(C)(C)C

2-(2S,3S)-3-(叔丁氧基)羰基氨基-2-羟基-4-苯基丁基-2-4-(2-吡啶基)苯基甲基肼羧酸叔丁酯(198904-86-8)物化性质

实验特性

  • LogP : 6.26900
  • PSA : 113.02000
  • 折射率 : 1.567
  • 熔点 : 185-186 ºC
  • 溶解度 : Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
  • 密度 : 1.157

计算特性

  • 精确分子量 : 562.31600
  • 氢键供体数量 : 3
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 16
  • 同位素质量 : 562.31552045g/mol
  • 重原子数量 : 41
  • 复杂度 : 797
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 5.4
  • 拓扑分子极性表面积 : 113Ų

2-(2S,3S)-3-(叔丁氧基)羰基氨基-2-羟基-4-苯基丁基-2-4-(2-吡啶基)苯基甲基肼羧酸叔丁酯(198904-86-8)安全信息

2-(2S,3S)-3-(叔丁氧基)羰基氨基-2-羟基-4-苯基丁基-2-4-(2-吡啶基)苯基甲基肼羧酸叔丁酯(198904-86-8)推荐厂家 更多厂家(30)

2-(2S,3S)-3-(叔丁氧基)羰基氨基-2-羟基-4-苯基丁基-2-4-(2-吡啶基)苯基甲基肼羧酸叔丁酯(198904-86-8)参考资料

Reaxys RN:
PubChem CID: