Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : STR

Encoding of molecule in descriptor string

Name

 Canonical SMILES

Program

OpenEye OEToolkits

Version

1.5.0

Name

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C