Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L3VG9X
|
|||
| Ligand Name |
(10S,12S)-17-chloro-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
|
|||
| Synonyms |
(10S,12S)-17-chloro-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-10-methyl-7-oxa-2,13,18-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one; BACE_8; BDBM586658; E6P
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C28H41ClN4O3
|
|||
| Canonical SMILES |
CC1CCOCCCCNC2=NC(=CC(=C2)C(=O)NC(C1)C(CNCC3=CC(=CC=C3)C(C)C)O)Cl
|
|||
| InChI |
1S/C28H41ClN4O3/c1-19(2)22-8-6-7-21(14-22)17-30-18-25(34)24-13-20(3)9-12-36-11-5-4-10-31-27-16-23(28(35)32-24)15-26(29)33-27/h6-8,14-16,19-20,24-25,30,34H,4-5,9-13,17-18H2,1-3H3,(H,31,33)(H,32,35)/t20-,24+,25-/m1/s1
|
|||
| InChIKey |
MHXXUEKCLLRUIA-DCEDVJGZSA-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.