2KK

N~6~-(4-fluorobenzoyl)-L-lysine

Created:	2013-11-21
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where 2KK is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	6

2D diagram of 2KK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N~6~-(4-fluorobenzoyl)-L-lysine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-6-[(4-fluorophenyl)carbonylamino]hexanoic acid
Formula	C₁₃ H₁₇ F N₂ O₃
Molecular Weight	268.284
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1ccc(F)cc1)NCCCCC(C(=O)O)N
SMILES	CACTVS	3.385	N[CH](CCCCNC(=O)c1ccc(F)cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)NCCCCC(C(=O)O)N)F
Canonical SMILES	CACTVS	3.385	N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F
InChI	InChI	1.03	InChI=1S/C13H17FN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey	InChI	1.03	RSCKZMFXHUZXTO-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	137348057

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.