[English] 日本語
Yorodumi- ChemComp-2LI: N-[(1S,2R)-3-{[(5S)-5-(3-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2LI |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C29H36F2N4O2 / Number of atoms: 73 / Formula weight: 510.619 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2LI / Ideal coordinates details: Corina | ||||||
History |
| ||||||
External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
---|
-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 11.02 | OpenEye OEToolkits 1.6.1 | |
---|
-PDB entries
Showing all 1 items
PDB-3ivi:
Design and Synthesis of Potent BACE-1 Inhibitors with Cellular Activity: Structure-Activity Relationship of P1 Substituents