KUG

[(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid

Created:	2019-01-16
Last modified:	2020-01-22

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1 entries where KUG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	2
Bond Count	34
Aromatic Bond Count	6

2D diagram of KUG

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Chemical Component Summary
Name	[(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid
Systematic Name (OpenEye OEToolkits)	2-[(1~{R},2~{S})-2-(phenylcarbonyl)cyclopentyl]ethanoic acid
Formula	C₁₄ H₁₆ O₃
Molecular Weight	232.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2CCC(C(c1ccccc1)=O)C2CC(O)=O
SMILES	CACTVS	3.385	OC(=O)C[CH]1CCC[CH]1C(=O)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(=O)C2CCCC2CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C[C@H]1CCC[C@@H]1C(=O)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)C(=O)[C@H]2CCC[C@@H]2CC(=O)O
InChI	InChI	1.03	InChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)/t11-,12+/m1/s1
InChIKey	InChI	1.03	NMNCOSWJMSHIOO-NEPJUHHUSA-N

Related Resource References

Resource Name	Reference
PubChem	145829184

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