头孢吡普杂质 8结构式

头孢吡普杂质 8
中文名称:头孢吡普杂质 8
英文名称:Ceftobiprole Impurity 8
CAS No.:209467-78-7
分子式:C25H30N8O6S2 分子量:602.69
头孢吡普杂质 8 数据
Mol:
  0  0  0  0  0
    6.7718   -0.2848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781   -1.9303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3604   -2.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2127   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5160   -1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6130   -1.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9309   -2.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847   -2.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210   -2.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1858   -1.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8476   -0.2848    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1450   -1.5822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8883   -7.2806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4455   -3.3432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 15  9  1  1  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  2  0  0  0  0
 21 23  1  0  0  0  0
 21  1  1  0  0  0  0
 22 26  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24  5  1  0  0  0  0
 24  1  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 31  2  0  0  0  0
 27 25  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 39  1  0  0  0  0
 30 38  2  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 33  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 27  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 24 42  1  6     0  0
M  END                                
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头孢吡普杂质 8 Smile 编码:
N12[C@]([H])(SCC(/C=C3/C(=O)N([C@@H]4CCNC4)CC/3)=C1C(O)=O)[C@H](NC(=O)/C(=N\OC1CCCC1)/C1N=C(N)SN=1)C2=O
头孢吡普杂质 8 InChi 编码:
1S/C25H30N8O6S2/c26-25-29-19(31-41-25)16(30-39-15-3-1-2-4-15)20(34)28-17-22(36)33-18(24(37)38)13(11-40-23(17)33)9-12-6-8-32(21(12)35)14-5-7-27-10-14/h9,14-15,17,23,27H,1-8,10-11H2,(H,28,34)(H,37,38)(H2,26,29,31)/b12-9+,30-16-/t14-,17-,23-/m1/s1
头孢吡普杂质 8 InChiKey 编码:
ZPBKRGXASDOJTD-VVHVSPLOSA-N