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Ampicillin Amino-benzeneacetaldehyde | 10001-82-8

10001-82-8
Product Name:Ampicillin Amino-benzeneacetaldehyde
CAS No:10001-82-8
MF:C24H26N4O5S
MW:482.5520
CID:2841996
Names and Identifiers
  • (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • AMpicillin iMpurity I
  • AMpicillin EP IMpurity I
  • D-Phenylglycylampicillin
  • Phenylglycylampicillin, D-
  • FR42YK1I2F
  • Ampicillin trihydrate impurity I [EP]
  • Ampicillin, anhydrous impurity I [EP]
  • (2S,5R,6R)-6-(((2R)-2-(((2R)-2-Amino-2-phenylacetyl)amino)-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-(2-amino-2-phenylacetamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carbox
  • Ampicillin Impurity I
  • InChIKey:ZHYDGVCSWXXUDM-OSAVLUCMSA-N
  • Inchi:1S/C24H26N4O5S/c1-24(2)18(23(32)33)28-21(31)17(22(28)34-24)27-20(30)16(14-11-7-4-8-12-14)26-19(29)15(25)13-9-5-3-6-10-13/h3-12,15-18,22H,25H2,1-2H3,(H,26,29)(H,27,30)(H,32,33)/t15-,16-,17-,18+,22-/m1/s1
  • SMILES:S1C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C(=O)O[H])N2C([C@]([H])([C@@]12[H])N([H])C([C@@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C([C@@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])[H])=O)=O)=O
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 482.162391g/mol
  • 氢键供体数量: 4
  • 氢键受体数量: 7
  • 可旋转化学键数量: 7
  • 同位素质量: 482.162391g/mol
  • 重原子数量: 34
  • 复杂度: 824
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 5
  • 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): -0.6
  • 拓扑分子极性表面积: 167
  • 分子量: 482.6g/mol
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