[3H]eglumegad   

GtoPdb Ligand ID: 1396

Synonyms: [3H]LY354740
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 100.62
Molecular weight 185.07
XLogP -3.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C1C2C1C(CC2)(N)C(=O)O
Isomeric SMILES OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O
InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
InChI Key VTAARTQTOOYTES-RGDLXGNYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Synonyms
[3H]LY354740
Database Links
ChEMBL Ligand CHEMBL8759
GtoPdb PubChem SID 135651173
PubChem CID 213056
RCSB PDB Ligand 40F
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Tocris
LY 354740
Cat. No. 3246