NC6

6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID

Created:	2005-04-21
Last modified:	2021-03-01

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1 entries where NC6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	0

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Chemical Component Summary
Name	6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID
Synonyms	4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID
Systematic Name (OpenEye OEToolkits)	6-(cyclohexylcarbamoylamino)hexanoic acid
Formula	C₁₃ H₂₄ N₂ O₃
Molecular Weight	256.341
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1CCCCC1)NCCCCCC(=O)O
SMILES	CACTVS	3.341	OC(=O)CCCCCNC(=O)NC1CCCCC1
SMILES	OpenEye OEToolkits	1.5.0	C1CCC(CC1)NC(=O)NCCCCCC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CCCCCNC(=O)NC1CCCCC1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CCC(CC1)NC(=O)NCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)
InChIKey	InChI	1.03	KFTVEPYSUSWBRD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB08258
Name	6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID
Groups	experimental
Synonyms	6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Bifunctional epoxide hydrolase 2	MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGAT...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682