Cpd17-Pyrrolidine-THL-derivative

General

Type : Oxooxetan, Lipase inhibitor, Pyrrolidine

Chemical_Nomenclature : (S)-((S)-1-((2S,3S)-3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl)1-acetylpyrrolidine-2-carboxylate

Canonical SMILES : CCCCCCCCCCCC(CC1OC(C1CCCCCC)=O)OC(=O)C2CCCN2C(=O)C

InChI : InChI=1S\/C29H51NO5\/c1-4-6-8-10-11-12-13-14-15-18-24(34-29(33)26-20-17-21-30(26)23(3)31)22-27-25(28(32)35-27)19-16-9-7-5-2\/h24-27H,4-22H2,1-3H3

InChIKey : REKDUIKHBRMXTD-UHFFFAOYSA-N

Other name(s) :


MW : 493.72

Formula : C29H51NO5

CAS_number :

PubChem :

UniChem : REKDUIKHBRMXTD-UHFFFAOYSA-N

Target

Families : Cpd17-Pyrrolidine-THL-derivative ligand of proteins in family
Cutinase

Protein :
myctu-Rv3802c

References (1)

Title : Inhibitors of an essential mycobacterial cell wall lipase (Rv3802c) as tuberculosis drug leads - West_2011_Chem.Commun.(Camb)_47_5166
Author(s) : West NP , Cergol KM , Xue M , Randall EJ , Britton WJ , Payne RJ
Ref : Chem Commun (Camb) , 47 :5166 , 2011
Abstract :
PubMedSearch : West_2011_Chem.Commun.(Camb)_47_5166
PubMedID: 21384024
Gene_locus related to this paper: myctu-Rv3802c