6G5

4-chloro-L-tryptophan

Created:	2021-08-05
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where 6G5 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	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	10

2D diagram of 6G5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-chloro-L-tryptophan
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(4-chloranyl-1~{H}-indol-3-yl)propanoic acid
Formula	C₁₁ H₁₁ Cl N₂ O₂
Molecular Weight	238.67
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)Cc1c[NH]c2cccc(Cl)c21
SMILES	CACTVS	3.385	N[CH](Cc1c[nH]c2cccc(Cl)c12)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)Cl)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)Cl)c(c[nH]2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H11ClN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1
InChIKey	InChI	1.03	NRTHKYABOMUPSC-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	14048819

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.