| SpectraBase Spectrum ID |
G4AqjJ3x5pS |
| Name |
1H-Isoindole-1,3(2H)-dione, 2-[4-(octadecahydro-5-oxopyrido[1,2-E][1,5]diazacycloheptadecin-4(1H)-yl)butyl]-, (.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
509.361742382 u |
| Formula |
C31H47N3O3 |
| InChI |
InChI=1S/C31H47N3O3/c35-29-20-8-6-4-2-1-3-5-7-16-26-17-11-12-21-32(26)23-15-24-33(29)22-13-14-25-34-30(36)27-18-9-10-19-28(27)31(34)37/h9-10,18-19,26H,1-8,11-17,20-25H2 |
| InChIKey |
IIKYWJRGIMOQJS-UHFFFAOYSA-N |
| Molecular Weight |
509.735 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CCCCN1C(=O)CCCCCCCCCCC2N(CCC1)CCCC2)=O |
![1H-Isoindole-1,3(2H)-dione, 2-[4-(octadecahydro-5-oxopyrido[1,2-e][1,5]diazacycloheptadecin-4(1H)-yl)butyl]-, (.+-.)-](/api/spectrum/G4AqjJ3x5pS/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, 2-[4-(octadecahydro-5-oxopyrido[1,2-e][1,5]diazacycloheptadecin-4(1H)-yl)butyl]-, (.+-.)-")
