DFM

N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE

Created:	2006-05-04
Last modified:	2020-06-05

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1 entries where DFM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	2
Bond Count	58
Aromatic Bond Count	12

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Chemical Component Summary
Name	N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE
Synonyms	DIFLUOROMETHYLPHOSPHONIC ACID ANALOG
Systematic Name (OpenEye OEToolkits)	[[4-[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-amino-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid
Formula	C₂₁ H₂₄ F₂ N₃ O₆ P
Molecular Weight	483.402
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C)Cc2ccccc2)P(=O)(O)O
SMILES	CACTVS	3.341	CC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)C(N)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N
Canonical SMILES	CACTVS	3.341	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N
InChI	InChI	1.03	InChI=1S/C21H24F2N3O6P/c1-13(27)25-18(12-14-5-3-2-4-6-14)20(29)26-17(19(24)28)11-15-7-9-16(10-8-15)21(22,23)33(30,31)32/h2-10,17-18H,11-12H2,1H3,(H2,24,28)(H,25,27)(H,26,29)(H2,30,31,32)/t17-,18-/m0/s1
InChIKey	InChI	1.03	KPMMESISHWWXNM-ROUUACIJSA-N

Drug Info: DrugBank

DrugBank ID	DB07651
Name	N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE
Groups	experimental
Synonyms	N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tyrosine-protein phosphatase non-receptor type 1	MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682