LEH

N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine

Created:	2007-11-20
Last modified:	2011-06-04

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1 entries where LEH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	64
Chiral Atom Count	1
Bond Count	64
Aromatic Bond Count	5

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Chemical Component Summary
Name	N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine
Systematic Name (OpenEye OEToolkits)	(2S)-2-(12-imidazol-1-yldodecanoylamino)-4-methyl-pentanoic acid
Formula	C₂₁ H₃₇ N₃ O₃
Molecular Weight	379.537
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NC(=O)CCCCCCCCCCCn1ccnc1)CC(C)C
SMILES	CACTVS	3.341	CC(C)C[CH](NC(=O)CCCCCCCCCCCn1ccnc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CC(C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1
Canonical SMILES	CACTVS	3.341	CC(C)C[C@H](NC(=O)CCCCCCCCCCCn1ccnc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1
InChI	InChI	1.03	InChI=1S/C21H37N3O3/c1-18(2)16-19(21(26)27)23-20(25)12-10-8-6-4-3-5-7-9-11-14-24-15-13-22-17-24/h13,15,17-19H,3-12,14,16H2,1-2H3,(H,23,25)(H,26,27)/t19-/m0/s1
InChIKey	InChI	1.03	PSJOKLGFODYIHJ-IBGZPJMESA-N

Drug Info: DrugBank

DrugBank ID	DB08086
Name	N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine
Groups	experimental
Synonyms	N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Bifunctional P-450/NADPH-P450 reductase	MTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVT...	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