Glutathione-sulfobromophthalein conjugate
[CAS# 52682-84-5]

Identification

• Name: Glutathione-sulfobromophthalein conjugate
• Synonyms: Disodium; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-2-Oxo-1-(Sulfanylmethyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; 2-Hydroxy-5-[4,5,6,7-Tetrabromo-1-(4-Hydroxy-3-Sulfonato-Phenyl)-3-Oxo-Isobenzofuran-1-Yl]Benzenesulfonate; Disodium; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; 2-Hydroxy-5-[4,5,6,7-Tetrabromo-1-(4-Hydroxy-3-Sulfonatophenyl)-3-Oxo-1-Isobenzofuranyl]Benzenesulfonate
• Molecular Formula: C₃₀H₂₅Br₄N₃Na₂O₁₆S₃
• Molecular Weight: 1145.31
• CAS Registry Number: 52682-84-5
• SMILES: [C@@H](NC(=O)CC[C@H](N)C(=O)O)(C(=O)NCC(=O)O)CS.C4=C(C1(OC(=O)C2=C1C(=C(Br)C(=C2Br)Br)Br)C3=CC(=C(O)C=C3)[S]([O-])(=O)=O)C=CC(=C4[S]([O-])(=O)=O)O.[Na+].[Na+]
• InChI: 1S/C20H10Br4O10S2.C10H17N3O6S.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);;/q;;2*+1/p-2/t;5-,6-;;/m.0../s1
• InChIKey: IOJVIPDIDCVMDD-GOIBDWBOSA-L