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0JY

Summary
Name:4-methyl-L-leucine
Formula:C7 H15 N O2
Formal charge:0
Formula weight:145.2 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methyl-L-leucine
OpenEye OEToolkits1.7.6(2S)-2-azanyl-4,4-dimethyl-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)CC(C)(C)C
InChIInChI1.03InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKeyInChI1.03LPBSHGLDBQBSPI-YFKPBYRVSA-N
SMILES_CANONICALCACTVS3.370CC(C)(C)C[C@H](N)C(O)=O
SMILESCACTVS3.370CC(C)(C)C[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)(C)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.6CC(C)(C)CC(C(=O)O)N

217705

PDB entries from 2024-03-27

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