TTT

5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

Created:	2008-08-28
Last modified:	2011-06-04

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6 entries where TTT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	17

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Chemical Component Summary
Name	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Systematic Name (OpenEye OEToolkits)	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Formula	C₂₀ H₂₀ N₂ O
Molecular Weight	304.386
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cc(N)ccc1C)NC(c3c2ccccc2ccc3)C
SMILES	CACTVS	3.341	C[CH](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc23
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)N
Canonical SMILES	CACTVS	3.341	C[C@@H](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N
InChI	InChI	1.03	InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKey	InChI	1.03	UVERBUNNCOKGNZ-CQSZACIVSA-N

Drug Info: DrugBank

DrugBank ID	DB08656
Name	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Groups	experimental
Synonyms	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Replicase polyprotein 1ab	MESLVLGVNEKTHVQLSLPVLQVRDVLVRGFGDSVEEALSEAREHLKNGT...	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