Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L3CBN4
|
|||
| Ligand Name |
(2r,5r)-4-[2-(6-Benzyl-3,3-Dimethyl-2,3-Dihydro-1h-Pyrrolo[3,2-C]pyridin-1-Yl)-2-Oxoethyl]-5-(Methoxymethyl)-2-Methylpiperazin-1-Ium
|
|||
| Synonyms |
(2r,5r)-4-[2-(6-Benzyl-3,3-Dimethyl-2,3-Dihydro-1h-Pyrrolo[3,2-C]pyridin-1-Yl)-2-Oxoethyl]-5-(Methoxymethyl)-2-Methylpiperazin-1-Ium; Q27455287; 4YN
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C25H35N4O2+
|
|||
| Canonical SMILES |
CC1CN(C(C[NH2+]1)COC)CC(=O)N2CC(C3=C2C=C(N=C3)CC4=CC=CC=C4)(C)C
|
|||
| InChI |
1S/C25H34N4O2/c1-18-14-28(21(12-26-18)16-31-4)15-24(30)29-17-25(2,3)22-13-27-20(11-23(22)29)10-19-8-6-5-7-9-19/h5-9,11,13,18,21,26H,10,12,14-17H2,1-4H3/p+1/t18-,21-/m1/s1
|
|||
| InChIKey |
XOZJVPQFZSCGTE-WIYYLYMNSA-O
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.