3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
21 21 0 1 0 0 0 0 0999 V2000
2.9583 1.0558 -0.5744 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4298 -2.1536 -0.5644 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1997 -0.5710 1.0863 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0862 0.1594 -0.3062 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4407 0.8524 -0.2252 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1600 0.7435 0.5641 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7467 1.2588 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0036 -0.7709 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7628 -1.0485 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.3239 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2994 0.1501 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6493 1.1762 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2357 1.4276 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7046 2.1558 -0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8061 -1.0891 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 -1.3128 0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2521 1.3057 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3406 -0.4549 -1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5102 0.7092 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2601 0.8165 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5105 1.4274 -1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 19 1 0 0 0 0
2 9 2 0 0 0 0
3 11 2 0 0 0 0
4 7 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
5 11 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
7 13 1 0 0 0 0
7 14 1 0 0 0 0
8 9 1 0 0 0 0
8 15 1 0 0 0 0
8 16 1 0 0 0 0
10 11 1 0 0 0 0
10 17 1 0 0 0 0
10 18 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetamide
4.2 InChl
InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)/t4-/m1/s1
4.3 InChlKey
IHLAQQPQKRMGSS-SCSAIBSYSA-N
4.4 Canonical SMILES
C1C(CN(C1=O)CC(=O)N)O
4.5 lsomeric SMILES
C1[C@H](CN(C1=O)CC(=O)N)O
4.6 SDF文件
5. 波谱数据
5.1 13C核磁共振谱(13C NMR)
5.2 1H核磁共振谱(1H NMR)
5.3 质谱(MS)
5.4 红外光谱(IR)
5.5 紫外/可见光谱(UV/Vis)
6. 相关药材
7. 相关靶点
8. 相关疾病