Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L0N9YH
|
|||
| Ligand Name |
(2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide
|
|||
| Synonyms |
(2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide; BACE_1; SCHEMBL3183235; BDBM586634; E4Y
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C30H49N3O5
|
|||
| Canonical SMILES |
CCCCNC(=O)C(C)CC(C1CC(CCCCCN(C(=O)C2=CC(=CC(=C2)C(=O)N1)OCC)CC)C)O
|
|||
| InChI |
1S/C30H49N3O5/c1-6-9-14-31-28(35)22(5)17-27(34)26-16-21(4)13-11-10-12-15-33(7-2)30(37)24-18-23(29(36)32-26)19-25(20-24)38-8-3/h18-22,26-27,34H,6-17H2,1-5H3,(H,31,35)(H,32,36)/t21-,22-,26+,27+/m1/s1
|
|||
| InChIKey |
SQQOMEGTQPPAAA-SZUBIPLGSA-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.