L6K

(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid

Created:	2019-07-23
Last modified:	2019-12-04

Find Related PDB Entry
1 entries where L6K is found as a standalone ligand

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	42
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	11

2D diagram of L6K

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
Formula	C₁₆ H₂₀ N₂ O₄
Molecular Weight	304.341
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN[CH](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CNC(Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O
Canonical SMILES	CACTVS	3.385	CN[C@@H](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN[C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O
InChI	InChI	1.03	InChI=1S/C16H20N2O4/c1-18-15(16(19)20)7-11-2-4-13(5-3-11)21-9-12-6-14(8-17)22-10-12/h2-6,10,15,18H,7-9,17H2,1H3,(H,19,20)/t15-/m0/s1
InChIKey	InChI	1.03	QGZKJFPEUIZHQR-HNNXBMFYSA-N

Related Resource References

Resource Name	Reference
PubChem	145704687

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.