Glycine,N,N'-(1,5-dioxo-1,5-pentanediyl)bis- | 143673-88-5
Glycine,N,N'-(1,5-dioxo-1,5-pentanediyl)bis-
143673-88-5
C9H14N2O6
246.21726
名称和标识符
InChIKey |
WOACFZHTODURQC-UHFFFAOYSA-N |
Inchi |
InChI=1S/C9H14N2O6/c12-6(10-4-8(14)15)2-1-3-7(13)11-5-9(16)17/h1-5H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17) |
SMILES |
O=C(NCC(O)=O)CCCC(NCC(O)=O)=O |
别名信息
- 英文别名 -
- Glycine,N,N'-(1,5-dioxo-1,5-pentanediyl)bis-
- 2,2'-[(1,5-Dioxopentane-1,5-diyl)diimino]diacetic acid (non-preferred name)
- CHEMBL1996471
- BRN 5819957
- BRN 5819957
- 143673-88-5
- 143673-88-5
- SCHEMBL2804264
- SCHEMBL2804264
- 2-[[5-(carboxymethylamino)-5-oxo-pentanoyl]amino]acetic acid
- 2-[[5-(carboxymethylamino)-5-oxo-pentanoyl]amino]acetic acid
- NSC625179
- NSC625179
- NSC-625179
- NSC-625179
- N,N'-(1,5-Dioxo-1,5-pentanediyl)bisglycine
- N,N'-(1,5-Dioxo-1,5-pentanediyl)bisglycine
- Glycine, N,N'-(1,5-dioxo-1,5-pentanediyl)bis-
- Glycine, N,N'-(1,5-dioxo-1,5-pentanediyl)bis-
- ((5-((Carboxymethyl)amino)-5-oxopentanoyl)amino)acetic acid
- ((5-((Carboxymethyl)amino)-5-oxopentanoyl)amino)acetic acid
- NCI60_007752
- NCI60_007752
- AKOS022139489
- AKOS022139489
物化性质
计算特性
精确分子量 |
246.08518617g/mol |
氢键供体数量 |
4 |
氢键受体数量 |
6 |
可旋转化学键数量 |
8 |
同位素质量 |
246.08518617g/mol |
重原子数量 |
17 |
复杂度 |
285 |
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 |
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) |
-1.7 |
拓扑分子极性表面积 |
133Ų |