Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L8PJ1X
|
|||
| Ligand Name |
(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
|
|||
| Synonyms |
(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one; BACE_15; SCHEMBL4880935; BDBM586682; E6J
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C33H42N2O5
|
|||
| Canonical SMILES |
CC(C)C1=CC=CC(=C1)CNCC(C2CC3=CC(=CC=C3)OCCCCOC4=CC(=CC(=C4)C(=O)N2)COC)O
|
|||
| InChI |
1S/C33H42N2O5/c1-23(2)27-10-6-9-25(14-27)20-34-21-32(36)31-18-24-8-7-11-29(16-24)39-12-4-5-13-40-30-17-26(22-38-3)15-28(19-30)33(37)35-31/h6-11,14-17,19,23,31-32,34,36H,4-5,12-13,18,20-22H2,1-3H3,(H,35,37)/t31-,32+/m0/s1
|
|||
| InChIKey |
NGMBHSPURAEOBG-AJQTZOPKSA-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.