3CF

3-cyano-L-phenylalanine

Created:	2010-09-07
Last modified:	2024-09-27

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1 entries where 3CF is covalently linked to polymer or other heterogen groups 1 entries where 3CF is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	6

2D diagram of 3CF

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Chemical Component Summary
Name	3-cyano-L-phenylalanine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-3-(3-cyanophenyl)propanoic acid
Formula	C₁₀ H₁₀ N₂ O₂
Molecular Weight	190.199
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)Cc1cccc(C#N)c1
SMILES	CACTVS	3.370	N[CH](Cc1cccc(c1)C#N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	c1cc(cc(c1)C#N)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](Cc1cccc(c1)C#N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(cc(c1)C#N)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
InChIKey	InChI	1.03	ZHUOMTMPTNZOJE-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	7019061, 2734509
ChEMBL	CHEMBL1230101

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