氨苄西林三水合物结构式

中文名称:氨苄西林三水合物
英文名称:Ampicillin trihydrate
CAS No.:7177-48-2
分子式:C16H19N3O4S 分子量:349.4048
氨苄西林三水合物 数据
Mol:
0  0  0  0  0  0  0  0  0
   11.3878   -4.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030   -2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8540   -1.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758   -1.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272   -2.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6268   -0.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -3.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1535   -1.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0     0  0
  1 16  1  0     0  0
  2 15  2  0     0  0
  3 17  2  0     0  0
  4 17  1  0     0  0
  5 20  2  0     0  0
  9 12  1  0     0  0
  9 14  1  0     0  0
  9 15  1  0     0  0
 13 10  1  1     0  0
 10 20  1  0     0  0
 21 11  1  1     0  0
 12 13  1  0     0  0
 12 28  1  6     0  0
 13 15  1  0     0  0
 14 16  1  0     0  0
 14 17  1  6     0  0
 16 18  1  0     0  0
 16 19  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 22 24  1  0     0  0
 23 25  1  0     0  0
 24 26  2  0     0  0
 25 27  2  0     0  0
 26 27  1  0     0  0
M  END                                
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氨苄西林三水合物 Smile 编码:
S1C(C)(C)[C@H](C(O)=O)N2C([C@H]([C@@]12[H])NC([C@@H](C1C=CC=CC=1)N)=O)=O.O.O.O
氨苄西林三水合物 InChi 编码:
1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
氨苄西林三水合物 InChiKey 编码:
AVKUERGKIZMTKX-NJBDSQKTSA-N