4AF

4-ACETYL-L-PHENYLALANINE

Created:	2005-05-04
Last modified:	2024-09-27

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1 entries where 4AF is found as a standalone ligand5 entries where 4AF is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	6

2D diagram of 4AF

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Chemical Component Summary
Name	4-ACETYL-L-PHENYLALANINE
Synonyms	P-ACETYLPHENYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-(4-ethanoylphenyl)propanoic acid
Formula	C₁₁ H₁₃ N O₃
Molecular Weight	207.226
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc1ccc(cc1)C(=O)C
SMILES	CACTVS	3.352	CC(=O)c1ccc(C[CH](N)C(O)=O)cc1
SMILES	OpenEye OEToolkits	1.6.1	CC(=O)c1ccc(cc1)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.352	CC(=O)c1ccc(C[C@H](N)C(O)=O)cc1
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey	InChI	1.03	ZXSBHXZKWRIEIA-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	26338488, 6420123

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