Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : QCP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
2 InChIKey InChI 1.03 LAMIXXKAWNLXOC-INIZCTEOSA-N
3 SMILES ACDLabs 12.01 C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C
4 SMILES CACTVS 3.385 CC(C)[CH](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2
5 SMILES OpenEye OEToolkits 2.0.7 CC(C)C(c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO
6 Canonical SMILES CACTVS 3.385 CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO