Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PRO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
2 InChIKey InChI 1.03 ONIBWKKTOPOVIA-BYPYZUCNSA-N
3 SMILES ACDLabs 10.04 O=C(O)C1NCCC1
4 SMILES CACTVS 3.341 OC(=O)[CH]1CCCN1
5 SMILES OpenEye OEToolkits 1.5.0 C1CC(NC1)C(=O)O
6 Canonical SMILES CACTVS 3.341 OC(=O)[C@@H]1CCCN1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C1C[C@H](NC1)C(=O)O