0D2

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

Created:	2011-12-13
Last modified:	2012-12-28

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1 entries where 0D2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	2
Bond Count	43
Aromatic Bond Count	12

2D diagram of 0D2

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Chemical Component Summary
Name	(4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone
Systematic Name (OpenEye OEToolkits)	(5S)-5-[(4R)-2,5-bis(oxidanylidene)-4-phenyl-imidazolidin-4-yl]-5-phenyl-imidazolidine-2,4-dione
Formula	C₁₈ H₁₄ N₄ O₄
Molecular Weight	350.328
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	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+
InChIKey	InChI	1.03	ZRUGFCSNTLNZEL-HDICACEKSA-N

Related Resource References

Resource Name	Reference
PubChem	70680050

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.