F4U

2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione

Created:	2020-03-26
Last modified:	2020-08-26

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1 entries where F4U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

2D diagram of F4U

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Chemical Component Summary
Name	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione
Systematic Name (OpenEye OEToolkits)	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione
Formula	C₁₃ H₁₀ N₂ O₅
Molecular Weight	274.229
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1O)C(=O)N(C2=O)C3CCC(=O)NC3=O
Canonical SMILES	CACTVS	3.385	Oc1ccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O
InChI	InChI	1.03	InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1
InChIKey	InChI	1.03	LJBQRRQTZUJWRC-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	44250311
ChEMBL	CHEMBL560448

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