FCL

3-CHLORO-L-PHENYLALANINE

Created:	2003-07-31
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where FCL is found as a standalone ligand2 entries where FCL 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	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	6

2D diagram of FCL

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-CHLORO-L-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(3-chlorophenyl)propanoic acid
Formula	C₉ H₁₀ Cl N O₂
Molecular Weight	199.634
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc(ccc1)CC(C(=O)O)N
SMILES	CACTVS	3.341	N[CH](Cc1cccc(Cl)c1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1cccc(Cl)c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	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-/m0/s1
InChIKey	InChI	1.03	JJDJLFDGCUYZMN-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	7021505, 2761492
ChEMBL	CHEMBL1232684
ChEBI	CHEBI:49597

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.