14836-73-8 (N-[5-[[4-[5-[乙酰(羟基)氨基]戊基氨基]-4-氧代丁酰基]-羟基氨基]戊基]-N'-(5-氨基戊基)-N'-羟基丁二酰胺;铁,N-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;iron)

CAS号:
14836-73-8
中文名称:
N-[5-[[4-[5-[乙酰(羟基)氨基]戊基氨基]-4-氧代丁酰基]-羟基氨基]戊基]-N'-(5-氨基戊基)-N'-羟基丁二酰胺;铁
英文名称:
N-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;iron
分子式:
C25H48FeN6O8
分子量:
616.529027938843

N-[5-[[4-[5-[乙酰(羟基)氨基]戊基氨基]-4-氧代丁酰基]-羟基氨基]戊基]-N'-(5-氨基戊基)-N'-羟基丁二酰胺;铁(14836-73-8)名称与标识符

名称

英文别名:
Iron,[N'-[5-[[4-[[5-[(acetyl-kO)(hydroxy-kO)amino]pentyl]amino]-1-(oxo-kO)-4-oxobutyl](hydroxy-kO)amino]pentyl]-N-(5-aminopentyl)-N-(hydroxy-kO)butanediamidato(3-)-kO1]-, (OC-6-64)-;ferrioxamine B;Iron,[N'-[5-[[4-[[5-[(acetyl-kO)(hydroxy-kO)amino]pentyl]amino]-1-(oxo-kO)-4-oxobutyl](hydroxy-kO)amino]pentyl]-N-(5-aminopen;(N-(5-(3-((5-Aminopentyl)hydroxycarbamoyl)propionamido)pentyl)-3-((5-(N-hydroxyacetamido)pentyl) carbamoyl)propionohydroxamato(3-))iron;Ferrioxamine;Iron, (N'-(5-((4-((5-((acetyl-kappaO)(hydroxy-kappaO)amino)phenyl)amino)-1-(oxo-kappaO)-4-oxobutyl)(hydroxy-kappaO)amino)pentyl)-N-(5-aminopentyl)-N-(hydroxy-kappaO)butanediamidato(3-)-kappaO1)-;Ferroxamine;Desferal-iron(III);N'-[5-(acetyl-hydroxy-amino)pentyl]-N-[5-[3-(5-aminopentyl-hydroxy-carbamoyl)propanoylamino]pentyl]-N-hydroxy-butanediamide ferric complex;[N-(5-aminopentyl)-N-(hydroxy-kappaO)-N'-{5-[(hydroxy-kappaO){4-[(5-{(hydroxy-kappaO)[1-(oxo-kappaO)ethyl]amino}pentyl)amino]-4-oxo-1-(oxo-kappaO)butyl}amino]pentyl}succinamidato(3-)-kappaO(1)]iron;N-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl;

标识符

InChIKey:
RLQJSUCFBHXPHA-UHFFFAOYSA-N
Inchi:
1S/C25H48N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);
SMILES:
[Fe].ON(CCCCCNC(CCC(N(CCCCCN)O)=O)=O)C(CCC(NCCCCCN(C(C)=O)O)=O)=O

N-[5-[[4-[5-[乙酰(羟基)氨基]戊基氨基]-4-氧代丁酰基]-羟基氨基]戊基]-N'-(5-氨基戊基)-N'-羟基丁二酰胺;铁(14836-73-8)物化性质

计算特性

  • 氢键供体数量 : 6
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 5
  • 重原子数量 : 40
  • 复杂度 : 746
  • 拓扑分子极性表面积 : 206

N-[5-[[4-[5-[乙酰(羟基)氨基]戊基氨基]-4-氧代丁酰基]-羟基氨基]戊基]-N'-(5-氨基戊基)-N'-羟基丁二酰胺;铁(14836-73-8)相关文献