C6 H13 N O2
ILE
ISOLEUCINE
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
Ile, Isoleucine, Isoleucinum, L-Isoleucine, α-amino-β-methyl...Show more
Formula
Standard InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
Standard InChI Key
AGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES
CC[C@H](C)[C@@H](C(=O)O)N
Source OpenEye
Is part of
CLC_001136 CLC_001449 CLC_001773 CLC_002451 CLC_002792 CLC_003386 CLC_003849 PRD_000159 PRD_000184 PRD_000194 PRD_000196 PRD_000197 PRD_000198 PRD_000199 PRD_000200 PRD_000201 PRD_000223 PRD_000224 PRD_000228 PRD_000240 PRD_000266 PRD_000267 PRD_000300 PRD_000301 PRD_000321 PRD_000335 PRD_000345 PRD_000362 PRD_000406 PRD_000407 PRD_000430 PRD_000480 PRD_000481 PRD_000671 PRD_000708 PRD_000750 PRD_000752 PRD_000758 PRD_000759 PRD_000760 PRD_000793 PRD_000817 PRD_000818 PRD_000819 PRD_000821 PRD_000822 PRD_000824 PRD_000825 PRD_000826 PRD_000827 PRD_000842 PRD_000846 PRD_000875 PRD_000921 PRD_000929 PRD_000960 PRD_000966 PRD_000973 PRD_000976 PRD_000999 PRD_001025 PRD_001059 PRD_001070 PRD_001077 PRD_001086 PRD_001093 PRD_001097 PRD_001145 PRD_001185 PRD_001186 PRD_001187 PRD_001188 PRD_001191 PRD_001192 PRD_001193 PRD_001194 PRD_001195 PRD_001196 PRD_001197 PRD_001208 PRD_001209 PRD_001211 PRD_001212 PRD_001214 PRD_001229 PRD_001252 PRD_001259 PRD_001260 PRD_002103 PRD_002106 PRD_002107 PRD_002230 PRD_002234 PRD_002267 PRD_002275 PRD_002312 PRD_002313 PRD_002314 PRD_002317 PRD_002319 PRD_002362 PRD_002363 PRD_002374 PRD_002375 PRD_002379 PRD_002381 PRD_002384 PRD_002398 PRD_002425 PRD_002482 PRD_002532 PRD_002533 PRD_002559 PRD_002560.
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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