4FW

4-FLUOROTRYPTOPHANE

Created:	2003-12-16
Last modified:	2024-09-27

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1 entries where 4FW is found as a standalone ligand7 entries where 4FW is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	10

2D diagram of 4FW

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Chemical Component Summary
Name	4-FLUOROTRYPTOPHANE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid
Formula	C₁₁ H₁₁ F N₂ O₂
Molecular Weight	222.216
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc2c1c(F)cccc1nc2
SMILES	CACTVS	3.341	N[CH](Cc1c[nH]c2cccc(F)c12)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(c(c1)F)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1c[nH]c2cccc(F)c12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H11FN2O2/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	DEBQMEYEKKWIKC-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank ID	DB03386
Name	4-Fluorotryptophane
Groups	experimental
Synonyms	4-Fluorotryptophane

Related Resource References

Resource Name	Reference
PubChem	688475, 25272413

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