Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FCK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H18N4O5/c21-14-8-13(19-16(24)20-14)10-18-25-6-2-5-17-9-11-3-1-4-12(7-11)15(22)23/h1,3-4,7-8,10,17H,2,5-6,9H2,(H,22,23)(H2,19,20,21,24)/b18-10+
2 InChIKey InChI 1.03 CZTGLADCGFOCLD-VCHYOVAHSA-N
3 SMILES ACDLabs 10.04 O=C2NC(\C=N\OCCCNCc1cc(C(=O)O)ccc1)=CC(=O)N2
4 SMILES CACTVS 3.341 OC(=O)c1cccc(CNCCCON=CC2=CC(=O)NC(=O)N2)c1
5 SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2
6 Canonical SMILES CACTVS 3.341 OC(=O)c1cccc(CNCCCO/N=C/C2=CC(=O)NC(=O)N2)c1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=O)NC(=O)N2