Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L8WAR7
|
|||
| Ligand Name |
2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide
|
|||
| Synonyms |
2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide; BACE_20; BDBM586689; E4J
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C28H42N4O4
|
|||
| Canonical SMILES |
CCCCNC1=NC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CC(C)C(=O)NCCCC)O)OC
|
|||
| InChI |
1S/C28H42N4O4/c1-5-7-14-29-25-18-22(19-26(32-25)36-4)28(35)31-23(17-21-12-10-9-11-13-21)24(33)16-20(3)27(34)30-15-8-6-2/h9-13,18-20,23-24,33H,5-8,14-17H2,1-4H3,(H,29,32)(H,30,34)(H,31,35)/t20-,23+,24+/m1/s1
|
|||
| InChIKey |
XXAQWIHKXZOYLW-QDSKXPNFSA-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.