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

1-O-[2-(benzylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(diethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[diethylcarbamoyl(ethyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(dimethylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[dimethylcarbamoyl(methyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[ethylcarbamoyl(methyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-[ethyl(ethylcarbamoyl)amino]propyl] 4-O-propan-2-yl but-2-enedioate;1-O-[2-(phenylcarbamoylamino)propyl] 4-O-propan-2-yl but-2-enedioate

4.2 InChl

InChI=1S/C18H24N2O5.C17H22N2O5.C17H30N2O5.2C15H26N2O5.2C14H24N2O5.C13H22N2O5/c1-13(2)25-17(22)10-9-16(21)24-12-14(3)20-18(23)19-11-15-7-5-4-6-8-15;1-12(2)24-16(21)10-9-15(20)23-11-13(3)18-17(22)19-14-7-5-4-6-8-14;1-7-18(8-2)17(22)19(9-3)14(6)12-23-15(20)10-11-16(21)24-13(4)5;1-6-17(7-2)15(20)16-12(5)10-21-13(18)8-9-14(19)22-11(3)4;1-6-16-15(20)17(7-2)12(5)10-21-13(18)8-9-14(19)22-11(3)4;1-10(2)21-13(18)8-7-12(17)20-9-11(3)16(6)14(19)15(4)5;1-6-15-14(19)16(5)11(4)9-20-12(17)7-8-13(18)21-10(2)3;1-9(2)20-12(17)7-6-11(16)19-8-10(3)14-13(18)15(4)5/h4-10,13-14H,11-12H2,1-3H3,(H2,19,20,23);4-10,12-13H,11H2,1-3H3,(H2,18,19,22);10-11,13-14H,7-9,12H2,1-6H3;2*8-9,11-12H,6-7,10H2,1-5H3,(H,16,20);7-8,10-11H,9H2,1-6H3;7-8,10-11H,6,9H2,1-5H3,(H,15,19);6-7,9-10H,8H2,1-5H3,(H,14,18)

4.3 InChlKey

YYNPHIWBEFSYTD-UHFFFAOYSA-N

4.4 Canonical SMILES

CCNC(=O)N(C)C(C)COC(=O)C=CC(=O)OC(C)C.CCNC(=O)N(CC)C(C)COC(=O)C=CC(=O)OC(C)C.CCN(CC)C(=O)NC(C)COC(=O)C=CC(=O)OC(C)C.CCN(CC)C(=O)N(CC)C(C)COC(=O)C=CC(=O)OC(C)C.CC(C)OC(=O)C=CC(=O)OCC(C)NC(=O)NCC1=CC=CC=C1.CC(C)OC(=O)C=CC(=O)OCC(C)NC(=O)NC1=CC=CC=C1.CC(C)OC(=O)C=CC(=O)OCC(C)NC(=O)N(C)C.CC(C)OC(=O)C=CC(=O)OCC(C)N(C)C(=O)N(C)C

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