U1N

4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE

Created:	2007-01-10
Last modified:	2011-06-04

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1 entries where U1N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	12

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Chemical Component Summary
Name	4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
Systematic Name (OpenEye OEToolkits)	4-[(3R)-3-[[2-(4-fluorophenyl)-2-oxo-ethyl]amino]butyl]benzamide
Formula	C₁₉ H₂₁ F N₂ O₂
Molecular Weight	328.381
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ccc(F)cc1)CNC(C)CCc2ccc(C(=O)N)cc2
SMILES	CACTVS	3.341	C[CH](CCc1ccc(cc1)C(N)=O)NCC(=O)c2ccc(F)cc2
SMILES	OpenEye OEToolkits	1.5.0	CC(CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F
Canonical SMILES	CACTVS	3.341	C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c2ccc(F)cc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F
InChI	InChI	1.03	InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1
InChIKey	InChI	1.03	OIWWNWQZJJKBTR-CYBMUJFWSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB08672
Name	4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
Groups	experimental
Synonyms	4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Dipeptidyl peptidase 4	MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLK...	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