Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : 1N0    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2
2 InChIKey InChI 1.03 PBFKSBAPGGMKKJ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O
4 SMILES CACTVS 3.370 O=C1CCC(=O)N1CCCCCCN2C(=O)CCC2=O
5 SMILES OpenEye OEToolkits 1.7.6 C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O
6 Canonical SMILES CACTVS 3.370 O=C1CCC(=O)N1CCCCCCN2C(=O)CCC2=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O