[3-[[3,4,6-三-O-乙酰基-2-(乙酰氨基)-2-脱氧-β-D-吡喃半乳糖] 氧基]丙基]-氨基甲酸苯甲酯结构式

[3-[[3,4,6-三-O-乙酰基-2-(乙酰氨基)-2-脱氧-β-D-吡喃半乳糖] 氧基]丙基]-氨基甲酸苯甲酯
中文名称:[3-[[3,4,6-三-O-乙酰基-2-(乙酰氨基)-2-脱氧-β-D-吡喃半乳糖] 氧基]丙基]-氨基甲酸苯甲酯
英文名称:(2R,3R,4R,5R,6R)-5-Acetamido-2-(acetoxymethyl)-6-(3-(((benzyloxy)carbonyl)amino)propoxy)tetrahydro-2H-pyran-3,4-diyl diacetate
CAS No.:143918-33-6
分子式:C25H34N2O11 分子量:538.5443
[3-[[3,4,6-三-O-乙酰基-2-(乙酰氨基)-2-脱氧-β-D-吡喃半乳糖] 氧基]丙基]-氨基甲酸苯甲酯 数据
Mol:
  0  0  0  0  0  0  0  0  0  0  0
    4.5459   -3.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5069   -1.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3876   -2.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3025   -1.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7737   -1.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6466   -2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9214   -0.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7731   -0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6512   -0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5552   -4.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4161   -5.3699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5566   -3.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4161   -3.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  2  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 25  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 14  1  0  0  0  0
 13  1  1  1  0  0  0
 14 19  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 31  1  6  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  2  0  0  0  0
 24 22  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 38  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 30  1  0  0  0  0
 35 36  1  6  0  0  0
 35 13  1  0  0  0  0
 36 22  1  0  0  0  0
 37 38  1  6  0  0  0
 37 35  1  0  0  0  0
M  END                                
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[3-[[3,4,6-三-O-乙酰基-2-(乙酰氨基)-2-脱氧-β-D-吡喃半乳糖] 氧基]丙基]-氨基甲酸苯甲酯 Smile 编码:
N([C@@H]1[C@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OCCCNC(=O)OCC1C=CC=CC=1)OC(C)=O)C(C)=O
[3-[[3,4,6-三-O-乙酰基-2-(乙酰氨基)-2-脱氧-β-D-吡喃半乳糖] 氧基]丙基]-氨基甲酸苯甲酯 InChi 编码:
1S/C25H34N2O11/c1-15(28)27-21-23(37-18(4)31)22(36-17(3)30)20(14-34-16(2)29)38-24(21)33-12-8-11-26-25(32)35-13-19-9-6-5-7-10-19/h5-7,9-10,20-24H,8,11-14H2,1-4H3,(H,26,32)(H,27,28)/t20-,21-,22+,23-,24-/m1/s1
[3-[[3,4,6-三-O-乙酰基-2-(乙酰氨基)-2-脱氧-β-D-吡喃半乳糖] 氧基]丙基]-氨基甲酸苯甲酯 InChiKey 编码:
XQLPBTZUOOALMQ-GNADVCDUSA-N