E6C

N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE

Created:	1999-07-08
Last modified:	2024-09-27

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6 entries where E6C is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	2
Bond Count	49
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE
Systematic Name (OpenEye OEToolkits)	(3S)-3-hydroxy-4-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxo-pentan-2-yl]amino]-4-oxo-butanoic acid
Formula	C₁₅ H₂₈ N₂ O₅
Molecular Weight	316.393
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CC(C)C
SMILES	CACTVS	3.341	CC(C)CCNC(=O)[CH](CC(C)C)NC(=O)[CH](O)CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)O
Canonical SMILES	CACTVS	3.341	CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)O
InChI	InChI	1.03	InChI=1S/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12-/m0/s1
InChIKey	InChI	1.03	KBIWEWPGBHKYML-RYUDHWBXSA-N

Drug Info: DrugBank

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

DrugBank ID	DB04126
Name	N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane
Groups	experimental
Synonyms	N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane

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
Cathepsin B	MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNV...	unknown
Pro-cathepsin H	MWATLPLLCAGAWLLGVPVCGAAELCVNSLEKFHFKSWMSKHRKTYSTEE...	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