Chemical Components in the PDB

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L05 : Summary

Code

L05

One-letter code

X

Molecule name

1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-benzyl-3-[(4-methoxyphenyl)amino]-4-phenyl-1H-pyrrole-2,5-dione
OpenEye OEToolkits 1.5.0 3-[(4-methoxyphenyl)amino]-4-phenyl-1-(phenylmethyl)pyrrole-2,5-dione

Formula

C24 H20 N2 O3

Formal charge

0

Molecular weight

384.427 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C(=C(C(=O)N1Cc2ccccc2)Nc3ccc(OC)cc3)c4ccccc4
SMILES CACTVS 3.341 COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c4ccccc4)cc1
SMILES OpenEye OEToolkits 1.5.0 COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4
Canonical SMILES CACTVS 3.341 COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c4ccccc4)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4

IUPAC InChI

InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3

IUPAC InChI key

HLZMYWLMBBLASX-UHFFFAOYSA-N
L05

wwPDB Information

Atom count

49 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned