Chemical Component Summary

NameS-(3-IODOBENZYL)GLUTATHIONE
Identifiers(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(3-iodophenyl)methylsulfanyl]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
FormulaC17 H22 I N3 O6 S
Molecular Weight523.343
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChIInChI=1S/C17H22IN3O6S/c18-11-3-1-2-10(6-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)5-4-12(19)17(26)27/h1-3,6,12-13H,4-5,7-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
InChIKeyAHWSFXKKIDTZBI-STQMWFEESA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count2
Bond Count50
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04341 
NameS-(3-Iodobenzyl)glutathione
Groups experimental
SynonymsS-(3-Iodobenzyl)glutathione

Related Resource References

Resource NameReference
PubChem 449342