Chemical Components in the PDB

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LZQ : Summary

Code

LZQ

One-letter code

X

Molecule name

4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
OpenEye OEToolkits 1.5.0 4-[3-(bis(phenylmethyl)amino)phenyl]-2,4-dioxo-butanoic acid

Formula

C24 H21 N O4

Formal charge

0

Molecular weight

387.428 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(=O)CC(=O)c3cc(N(Cc1ccccc1)Cc2ccccc2)ccc3
SMILES CACTVS 3.341 OC(=O)C(=O)CC(=O)c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)C(=O)CC(=O)c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O

IUPAC InChI

InChI=1S/C24H21NO4/c26-22(15-23(27)24(28)29)20-12-7-13-21(14-20)25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,15-17H2,(H,28,29)

IUPAC InChI key

RMWVENXKUQXLPW-UHFFFAOYSA-N
LZQ

wwPDB Information

Atom count

50 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-09-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned