Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L6ZCH8
|
|||
| Ligand Name |
(3as,4r,5s,8as,8br)-4-[5-(5-Chlorothiophen-2-Yl)-1,2-Oxazol-3-Yl]-2-[3-[1-(2-Hydroxyethyl)pyrrolidin-1-Ium-1-Yl]propyl]-4,6,7,8,8a,8b-Hexahydro-3ah-Pyrrolo[3,4-A]pyrrolizine-1,3-Dione
|
|||
| Synonyms |
(3as,4r,5s,8as,8br)-4-[5-(5-Chlorothiophen-2-Yl)-1,2-Oxazol-3-Yl]-2-[3-[1-(2-Hydroxyethyl)pyrrolidin-1-Ium-1-Yl]propyl]-4,6,7,8,8a,8b-Hexahydro-3ah-Pyrrolo[3,4-A]pyrrolizine-1,3-Dione; Q27467644; 1-(2-Hydroxyethyl)-1-[3-[(3aalpha,3bbeta,7aalpha)-1,3-dioxo-7beta-[5-(5-chloro-2-thienyl)isoxazole-3-yl]decahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-2-yl]propyl]pyrrolidinium; XWG
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C25H32ClN4O4S+
|
|||
| Canonical SMILES |
C1CC[N+](C1)(CCCN2C(=O)C3C4CCCN4C(C3C2=O)C5=NOC(=C5)C6=CC=C(S6)Cl)CCO
|
|||
| InChI |
1S/C25H32ClN4O4S/c26-20-7-6-19(35-20)18-15-16(27-34-18)23-22-21(17-5-3-8-28(17)23)24(32)29(25(22)33)9-4-12-30(13-14-31)10-1-2-11-30/h6-7,15,17,21-23,31H,1-5,8-14H2/q+1/t17-,21-,22-,23-/m0/s1
|
|||
| InChIKey |
NGWQPUFWVMNLQW-ZMVGRULKSA-N
|
|||
| 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.