137433-32-0 ((2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid)

快速询单

结构式：

2-amino-5-(N'-nitrocarbamimidamido)pentanoic acidMOL文件

CAS号：

137433-32-0

英文名称：

2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid

分子式：

C₆H₁₃N₅O₄

分子量：

219.198520421982

2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid(137433-32-0)名称与标识符

名称

英文别名：

2-Amino-5-(3-nitroguanidino)pentanoic acid;2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid;Nw-Nitro-D-arginine;SR-01000075476;NCGC00094967-01;SR-01000075476-1;Norvaline, (+)-;Nomega-Nitro-L-arginine;2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid;SY036177;SCHEMBL881062;EN300-152237;NCGC00094967-02;Arginine, .omega.-nitro-;NSC53662;(E)-N~5~-[Amino(nitroamino)methylidene]ornithine;AKOS024350635;H-D-Arg(NO)-OH;NCGC00015742-03;NCGC00015742-02;HMS3744I07;DB-045595;DB-054860;nitroarginin;Arginine, (+)-;DTXSID10859703;nw-nitro-l-arginine;137433-32-0;

标识符

InChIKey：

MRAUNPAHJZDYCK-UHFFFAOYSA-N

Inchi：

1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)

SMILES：

OC(C(CCC/N=C(\N)/N[N+](=O)[O-])N)=O

2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid(137433-32-0)物化性质

计算特性

精确分子量 : 219.09675391Da
氢键供体数量 : 4
氢键受体数量 : 6
可旋转化学键数量 : 6
同位素质量 : 219.09675391Da
重原子数量 : 15
复杂度 : 261
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
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） : -3.6
拓扑分子极性表面积 : 160Å²

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137433-32-0 ((2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid)

2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid(137433-32-0)名称与标识符

名称

标识符

2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid(137433-32-0)物化性质

计算特性

2-amino-5-(N'-nitrocarbamimidamido)pentanoic acid(137433-32-0)相关文献

目录