Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : LEU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
2 InChIKey InChI 1.03 ROHFNLRQFUQHCH-YFKPBYRVSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(N)CC(C)C
4 SMILES CACTVS 3.341 CC(C)C[CH](N)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 CC(C)CC(C(=O)O)N
6 Canonical SMILES CACTVS 3.341 CC(C)C[C@H](N)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)C[C@@H](C(=O)O)N