Chemical Components in the PDB

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0D2 : Summary

Code

0D2

One-letter code

X

Molecule name

(4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone

Systematic names

ProgramVersionName
ACDLabs 12.01 (4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone
OpenEye OEToolkits 1.7.6 (5S)-5-[(4R)-2,5-bis(oxidanylidene)-4-phenyl-imidazolidin-4-yl]-5-phenyl-imidazolidine-2,4-dione

Formula

C18 H14 N4 O4

Formal charge

0

Molecular weight

350.328 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2NC(=O)NC2(c1ccccc1)C3(C(=O)NC(=O)N3)c4ccccc4
SMILES CACTVS 3.370 O=C1NC(=O)[C](N1)(c2ccccc2)[C]3(NC(=O)NC3=O)c4ccccc4
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C2(C(=O)NC(=O)N2)C3(C(=O)NC(=O)N3)c4ccccc4
Canonical SMILES CACTVS 3.370 O=C1NC(=O)[C@](N1)(c2ccccc2)[C@]3(NC(=O)NC3=O)c4ccccc4
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)[C@@]2(C(=O)NC(=O)N2)[C@@]3(C(=O)NC(=O)N3)c4ccccc4

IUPAC InChI

InChI=1S/C18H14N4O4/c23-13-17(21-15(25)19-13,11-7-3-1-4-8-11)18(12-9-5-2-6-10-12)14(24)20-16(26)22-18/h1-10H,(H2,19,21,23,25)(H2,20,22,24,26)/t17-,18+

IUPAC InChI key

ZRUGFCSNTLNZEL-HDICACEKSA-N
0D2

wwPDB Information

Atom count

40 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-12-13

Last modified at

2012-12-28

Status

Released

Obsoleted

Not Assigned