Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : YI2

Encoding of molecule in descriptor string

Name

 SMILES

Program

OpenEye OEToolkits

Version

1.7.6

Name

CCC(CC)(CSC(C)C1=CCC2C1(CCCC2=CC=C3CC(C(=CCO)C(C3)O)O)C)O