Streptotriad
[CAS# 79028-52-7]

Identification

• Name: Streptotriad
• Synonyms: 4-Amino-N-(4,6-Dimethylpyrimidin-2-Yl)Benzenesulfonamide; 4-Amino-N-Pyrimidin-2-Yl-Benzenesulfonamide; 4-Amino-N-Thiazol-2-Yl-Benzenesulfonamide; 2-[(1S,2R,3R,4S,5R,6R)-5-(Diaminomethylamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-4-Formyl-4-Hydroxy-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-3,4,6-Trihydroxy-Cyclohexyl]Guanidine; Trisulfate; 4-Amino-N-(4,6-Dimethyl-2-Pyrimidinyl)Benzenesulfonamide
• Molecular Formula: C₇₃H₁₁₅N₂₅O₄₂S₇
• Molecular Weight: 2239.27
• CAS Registry Number: 79028-52-7
• SMILES: [S]([O-])([O-])(=O)=O.O([C@@H]1[C@@H](N=C(N)N)[C@H](O)[C@@H](NC(N)N)[C@H](O)[C@H]1O)[C@@H]2O[C@H]([C@@](O)([C@H]2O[C@@H]3O[C@H]([C@H](O)[C@@H](O)[C@@H]3NC)CO)C=O)C.O([C@@H]4[C@@H](N=C(N)N)[C@H](O)[C@@H](NC(N)N)[C@H](O)[C@H]4O)[C@@H]5O[C@H]([C@@](O)([C@H]5O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@@H]6NC)CO)C=O)C.C8=C([S](=O)(=O)NC7=NC(=CC(=N7)C)C)C=CC(=C8)N.C%10=C([S](=O)(=O)NC9=NC=CS9)C=CC(=C%10)N.C%12=C([S](=O)(=O)NC%11=NC=CC=N%11)C=CC(=C%12)N.[O-][S]([O-])(=O)=O.[O-][S]([O-])(=O)=O
• InChI: 1S/2C21H41N7O12.C12H14N4O2S.C10H10N4O2S.C9H9N3O2S2.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;3*1-5(2,3)4/h2*4-19,26-27,29,31-36H,3,22-23H2,1-2H3,(H4,24,25,28);3-7H,13H2,1-2H3,(H,14,15,16);1-7H,11H2,(H,12,13,14);1-6H,10H2,(H,11,12);3*(H2,1,2,3,4)/p-6/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;;;;/m00....../s1
• InChIKey: ZJNAOHDAWSUJGP-YHCNRSCCSA-H