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Substrate Report for: S-bromobenzylglutathione-dicyclopentyl-ester

Name Class
S-bromobenzylglutathione-dicyclopentyl-esterType (5)
Other_NameBBGDC
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
Chemical_Nomenclaturecyclopentyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
FormulaC27H38BrN3O6S
CAS_number166038-00-2
MW612.6
PaperKomatsu_2019_Biochim.Biophys.Acta.Proteins.Proteom_1867_82
CommentS-bromobenzylglutathione dicyclopentyl ester (BBGDC), a prodrug of anti-tumor agent S-bromobenzylglutathione. Inhibition of glyoxalase I and induction of apoptosis
Gene_locushuman-CES1
CID127939
FamilyCarb_B_Chordata
InChIKeyQIFSPGPRHFNZNN-GOTSBHOMSA-N
CanonicalSMILESC1CCC(C1)OC(=O)CNC(=O)C(CSCC2=CC=C(C=C2)Br)NC(=O)CCC(C(=O)OC3CCCC3)N
InChIInChI=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

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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