Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L7LA0Y
|
|||
| Ligand Name |
N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
|
|||
| Synonyms |
N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide; CHEMBL385374; SCHEMBL8296649; macrocyclic BACE inhibitor, 19; BDBM16722; (2S)-N-(2-methylpropyl)-2-({[(4S)-2-oxo-17-(N-propylmethanesulfonamido)-3-azatricyclo[13.3.1.1;{6,10}]icosa-1(19),6,8,10(20),15,17-hexaen-4-yl]methyl}amino)hexanamide; N-(2-methylpropyl)-N2-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C34H52N4O4S
|
|||
| Canonical SMILES |
CCCCC(C(=O)NCC(C)C)NCC1CC2=CC=CC(=C2)CCCCC3=CC(=CC(=C3)N(CCC)S(=O)(=O)C)C(=O)N1
|
|||
| InChI |
1S/C34H52N4O4S/c1-6-8-16-32(34(40)36-23-25(3)4)35-24-30-20-27-15-11-14-26(18-27)12-9-10-13-28-19-29(33(39)37-30)22-31(21-28)38(17-7-2)43(5,41)42/h11,14-15,18-19,21-22,25,30,32,35H,6-10,12-13,16-17,20,23-24H2,1-5H3,(H,36,40)(H,37,39)/t30-,32-/m0/s1
|
|||
| InChIKey |
JRTACURQOKVHSE-CDZUIXILSA-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.