2. 供应商与价格

3. 结构

3.1 二维结构

3.2 三维结构

4. 国际命名与标识

4.1 IUPAC Name

3-[3-[1-(6-carboxyhexyl)-6-oxopiperidin-2-yl]-1-hydroxyprop-2-enyl]sulfanylbenzoic acid;7-[2-[4-(3-chlorophenyl)-3-hydroxybut-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid;2-[4-[2-[4-(2-cyanophenyl)-3-hydroxybut-1-enyl]-6-oxopiperidin-1-yl]butoxy]acetic acid;5-[2-[4-(4-fluorophenyl)-3-hydroxybut-1-enyl]-6-oxopiperidin-1-yl]pentyl hydrogen carbonate;5-[2-[3-hydroxy-4-(2-methoxyphenyl)but-1-enyl]-6-oxopiperidin-1-yl]pentyl hydrogen carbonate;3-[3-[2-[3-hydroxy-4-(2-methylphenyl)but-1-enyl]-6-oxopiperidin-1-yl]propylsulfanyl]propanoic acid;3-[3-[2-[3-hydroxy-4-(4-nitrophenyl)but-1-enyl]-6-oxopiperidin-1-yl]propoxy]propanoic acid;5-[2-[3-hydroxy-4-(4-propan-2-ylphenyl)but-1-enyl]-6-oxopiperidin-1-yl]pentylsulfanylformic acid

4.2 InChl

InChI=1S/C24H35NO4S.C22H30ClNO4.C22H28N2O5.C22H29NO6S.C22H31NO6.C22H31NO4S.C21H28FNO5.C21H28N2O7/c1-18(2)20-11-9-19(10-12-20)17-22(26)14-13-21-7-6-8-23(27)25(21)15-4-3-5-16-30-24(28)29;23-18-8-5-7-17(15-18)16-20(25)13-12-19-9-6-10-21(26)24(19)14-4-2-1-3-11-22(27)28;23-15-18-7-2-1-6-17(18)14-20(25)11-10-19-8-5-9-21(26)24(19)12-3-4-13-29-16-22(27)28;24-19-10-6-8-17(23(19)14-4-2-1-3-11-20(25)26)12-13-21(27)30-18-9-5-7-16(15-18)22(28)29;1-28-20-10-4-3-8-17(20)16-19(24)13-12-18-9-7-11-21(25)23(18)14-5-2-6-15-29-22(26)27;1-17-6-2-3-7-18(17)16-20(24)11-10-19-8-4-9-21(25)23(19)13-5-14-28-15-12-22(26)27;22-17-9-7-16(8-10-17)15-19(24)12-11-18-5-4-6-20(25)23(18)13-2-1-3-14-28-21(26)27;24-19(15-16-5-7-18(8-6-16)23(28)29)10-9-17-3-1-4-20(25)22(17)12-2-13-30-14-11-21(26)27/h9-14,18,21-22,26H,3-8,15-17H2,1-2H3,(H,28,29);5,7-8,12-13,15,19-20,25H,1-4,6,9-11,14,16H2,(H,27,28);1-2,6-7,10-11,19-20,25H,3-5,8-9,12-14,16H2,(H,27,28);5,7,9,12-13,15,17,21,27H,1-4,6,8,10-11,14H2,(H,25,26)(H,28,29);3-4,8,10,12-13,18-19,24H,2,5-7,9,11,14-16H2,1H3,(H,26,27);2-3,6-7,10-11,19-20,24H,4-5,8-9,12-16H2,1H3,(H,26,27);7-12,18-19,24H,1-6,13-15H2,(H,26,27);5-10,17,19,24H,1-4,11-15H2,(H,26,27)

4.3 InChlKey

JXGULIXWEBIQMV-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC=CC=C1CC(C=CC2CCCC(=O)N2CCCSCCC(=O)O)O.CC(C)C1=CC=C(C=C1)CC(C=CC2CCCC(=O)N2CCCCCSC(=O)O)O.COC1=CC=CC=C1CC(C=CC2CCCC(=O)N2CCCCCOC(=O)O)O.C1CC(N(C(=O)C1)CCCCCOC(=O)O)C=CC(CC2=CC=C(C=C2)F)O.C1CC(N(C(=O)C1)CCCCCCC(=O)O)C=CC(CC2=CC(=CC=C2)Cl)O.C1CC(N(C(=O)C1)CCCCOCC(=O)O)C=CC(CC2=CC=CC=C2C#N)O.C1CC(N(C(=O)C1)CCCOCCC(=O)O)C=CC(CC2=CC=C(C=C2)[N+](=O)[O-])O.C1CC(N(C(=O)C1)CCCCCCC(=O)O)C=CC(O)SC2=CC=CC(=C2)C(=O)O

4.5 lsomeric SMILES

-

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