C15 H19 N3 O2
A1JVC
(3S,4S)-1-(3-cyano-6-methyl-pyridin-2-yl)-4-propan-2-yl-pyrrolidine-3-carboxylic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
(3S,4S)-1-(3-cyano-6-methylpyridin-2-yl)-4-(propan-2-yl)pyrr...Show more
Formula
Standard InChI
InChI=1S/C15H19N3O2/c1-9(2)12-7-18(8-13(12)15(19)20)14-11(6-16)5-4-10(3)17-14/h4-5,9,12-13H,7-8H2,1-3H3,(H,19,20)/t12-,1...Show more
Standard InChI Key
HMSJFQPDVVCKLD-QWHCGFSZSA-N
SMILES
Cc1ccc(c(n1)N2C[C@H]([C@@H](C2)C(=O)O)C(C)C)C#N
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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