Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : P0H    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1
2 InChIKey InChI 1.03 ZTUKZKYDJMGJDC-LBPRGKRZSA-N
3 SMILES ACDLabs 12.01 O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2
4 SMILES CACTVS 3.370 OC(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2
5 SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2
7 Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O