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LPL

Summary
Name:LEU-HYDROXYETHYLENE-LEU
Formula:C13 H27 N O3
Formal charge:0
Formula weight:245.358 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid
OpenEye OEToolkits1.5.0(2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(CC(C)C)CC(O)C(N)CC(C)C
SMILES_CANONICALCACTVS3.341CC(C)C[C@H](N)[C@@H](O)C[C@@H](CC(C)C)C(O)=O
SMILESCACTVS3.341CC(C)C[CH](N)[CH](O)C[CH](CC(C)C)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0CC(C)CC(CC(C(CC(C)C)N)O)C(=O)O
InChIInChI1.03InChI=1S/C13H27NO3/c1-8(2)5-10(13(16)17)7-12(15)11(14)6-9(3)4/h8-12,15H,5-7,14H2,1-4H3,(H,16,17)/t10-,11+,12+/m1/s1
InChIKeyInChI1.03VQUMYZBNWKMCTB-WOPDTQHZSA-N

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PDB entries from 2024-04-24

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