| SpectraBase Compound ID | JiXo1DT4ZF0 |
|---|---|
| InChI | InChI=1S/C23H24Cl3N7O9S2/c24-7-3-8(15(26)9(25)4-7)18(38)32-21-16(14(17(28)37)20(44-21)33-23(29)42)43-6-11(19(39)30-5-13(35)36)31-12(34)2-1-10(27)22(40)41/h3-4,10-11H,1-2,5-6,27H2,(H2,28,37)(H,30,39)(H,31,34)(H,32,38)(H,35,36)(H,40,41)(H3,29,33,42)/t10-,11-/m0/s1 |
| InChIKey | ATUANFYOOIUTMB-QWRGUYRKSA-N |
| Mol Weight | 712.96 g/mol |
| Molecular Formula | C23H24Cl3N7O9S2 |
| Exact Mass | 711.014251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuV8IaGJOzs |
|---|---|
| Name | ATUANFYOOIUTMB-QWRGUYRKSA-N |
| Compound Number | GLUTATHIONE-CONJUGATE-OF-#1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H24Cl3N7O9S2 |
| InChI | InChI=1S/C23H24Cl3N7O9S2/c24-7-3-8(15(26)9(25)4-7)18(38)32-21-16(14(17(28)37)20(44-21)33-23(29)42)43-6-11(19(39)30-5-13(35)36)31-12(34)2-1-10(27)22(40)41/h3-4,10-11H,1-2,5-6,27H2,(H2,28,37)(H,30,39)(H,31,34)(H,32,38)(H,35,36)(H,40,41)(H3,29,33,42)/t10-,11-/m0/s1 |
| InChIKey | ATUANFYOOIUTMB-QWRGUYRKSA-N |
| Literature Reference Author | Y.HU,S.YANG,F.B.SHILLIDAY,B.R.HEYDE,K.M.MANDRELL,R.H.ROBINS, J.XIE,M.T.REDING,Y.L |
| Literature Reference Citation | DRUG.MET.DISP.,38,1522(2010) |
| Literature Reference DOI | 10.1124/dmd.110.032581 |
| Molecular Weight | 712.964 g/mol |
| Source File Reference | UWLU74043 |