2IO

(3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione

Created:	2021-06-17
Last modified:	2021-08-25

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1 entries where 2IO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	2
Bond Count	38
Aromatic Bond Count	0

2D diagram of 2IO

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Chemical Component Summary
Name	(3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
Synonyms	cyclo(L-Leu-L-Leu); Leucinimid; 2,5-Piperazinedione, 3,6-bis(2-methylpropyl); 137006
Systematic Name (OpenEye OEToolkits)	(3~{S},6~{S})-3,6-bis(2-methylpropyl)piperazine-2,5-dione
Formula	C₁₂ H₂₂ N₂ O₂
Molecular Weight	226.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)C[CH]1NC(=O)[CH](CC(C)C)NC1=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC1C(=O)NC(C(=O)N1)CC(C)C
Canonical SMILES	CACTVS	3.385	CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
InChI	InChI	1.03	InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1
InChIKey	InChI	1.03	XWYXUMDVQIOAPR-UWVGGRQHSA-N

Related Resource References

Resource Name	Reference
PubChem	192731
ChEMBL	CHEMBL1957404
ChEBI	CHEBI:67269

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.