Substrate Report for: S-bromobenzylglutathione-dicyclopentyl-ester
| S-bromobenzylglutathione-dicyclopentyl-ester | Type (5) |
|---|
| Other_Name (11) |
| 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 |
| Formula | C27H38BrN3O6S |
| CAS_number | 166038-00-2 |
| MW | 612.6 |
|  |
| Paper | Komatsu_2019_Biochim.Biophys.Acta.Proteins.Proteom_1867_82 |
| Comment | S-bromobenzylglutathione dicyclopentyl ester (BBGDC), a prodrug of anti-tumor agent S-bromobenzylglutathione. Inhibition of glyoxalase I and induction of apoptosis |
| Gene_locus | human-CES1 |
| CID | 127939 |
| Family | Carb_B_Chordata |
| InChIKey | QIFSPGPRHFNZNN-GOTSBHOMSA-N |
| CanonicalSMILES | 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 |
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