FXL

(2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid

Created:	2020-06-30
Last modified:	2023-11-01

Find Related PDB Entry
1 entries where FXL 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	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	6

2D diagram of FXL

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-(3-chlorophenyl)propanoic acid
Formula	C₉ H₁₀ Cl N O₂
Molecular Weight	199.634
Type	D-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](Cc1cccc(Cl)c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@H](Cc1cccc(Cl)c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)Cl)C[C@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKey	InChI	1.03	JJDJLFDGCUYZMN-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	7009409, 7009408

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.