S-bromobenzylglutathione-dicyclopentyl-ester

Type : Not A\/B H target, Pro-Drug, Drug, Sulfur Compound, Peptide

Chemical_Nomenclature : cyclopentyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate

Canonical SMILES : C1CCC(C1)OC(=O)CNC(=O)C(CSCC2=CC=C(C=C2)Br)NC(=O)CCC(C(=O)OC3CCCC3)N

InChI : InChI=1S\/C27H38BrN3O6S\/c28-19-11-9-18(10-12-19)16-38-17-23(26(34)30-15-25(33)36-20-5-1-2-6-20)31-24(32)14-13-22(29)27(35)37-21-7-3-4-8-21\/h9-12,20-23H,1-8,13-17,29H2,(H,30,34)(H,31,32)\/t22-,23-\/m0\/s1

InChIKey : QIFSPGPRHFNZNN-GOTSBHOMSA-N

Other name(s) : BBGDC  ||  BBGC  ||  BBGD  ||  H-gGlu(OcPent)-Cys(Bn(4-Br))-Gly-OcPent  ||  S-bromobenzylglutathione dicyclopentyl ester  ||  S-4-Bromobenzylglutathione cyclopentyl diester  ||  BrBzGCp2  ||  CHEMBL517039  ||  ZINC27081457  ||  Cyclopentyl 2-amino-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate  ||  O1-cyclopentyl-L-gamma-glutamyl-S-(4-bromobenzyl)-L-cysteinyl-glycine cyclopentyl ester

MW : 612.6

Formula : C27H38BrN3O6S

CAS_number : 166038-00-2

PubChem : 127939

UniChem : QIFSPGPRHFNZNN-GOTSBHOMSA-N