SFK

N-(4-methylpentanoyl)-L-phenylalanine

Created:	2013-04-15
Last modified:	2013-05-01

Find Related PDB Entry
1 entries where SFK 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	40
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	6

2D diagram of SFK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(4-methylpentanoyl)-L-phenylalanine
Systematic Name (OpenEye OEToolkits)	(2S)-2-(4-methylpentanoylamino)-3-phenyl-propanoic acid
Formula	C₁₅ H₂₁ N O₃
Molecular Weight	263.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(NC(=O)CCC(C)C)Cc1ccccc1
SMILES	CACTVS	3.370	CC(C)CCC(=O)N[CH](Cc1ccccc1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(C)CCC(=O)NC(Cc1ccccc1)C(=O)O
Canonical SMILES	CACTVS	3.370	CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H21NO3/c1-11(2)8-9-14(17)16-13(15(18)19)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKey	InChI	1.03	SNFOUMUDOQSPKF-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
PubChem	28777137
ChEMBL	CHEMBL3086672

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.