AAP

ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where AAP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	12

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Chemical Component Summary
Name	ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE
Systematic Name (OpenEye OEToolkits)	(2S)-2-(2,6-dichlorophenyl)-2-[(2-ethanoyl-5-methyl-phenyl)amino]ethanamide
Formula	C₁₇ H₁₆ Cl₂ N₂ O₂
Molecular Weight	351.227
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cccc(Cl)c1C(Nc2cc(ccc2C(=O)C)C)C(=O)N
SMILES	CACTVS	3.341	CC(=O)c1ccc(C)cc1N[CH](C(N)=O)c2c(Cl)cccc2Cl
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(c(c1)NC(c2c(cccc2Cl)Cl)C(=O)N)C(=O)C
Canonical SMILES	CACTVS	3.341	CC(=O)c1ccc(C)cc1N[C@H](C(N)=O)c2c(Cl)cccc2Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C
InChI	InChI	1.03	InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1
InChIKey	InChI	1.03	CJPLEFFCVDQQFZ-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank ID	DB07332
Name	ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE
Groups	experimental
Synonyms	ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	unknown
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	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