6'-O-Methyl alpha-Amanitin
[CAS# 21150-19-6]

Identification

• Name: 6'-O-Methyl alpha-Amanitin
• Synonyms: Alpha-Amanitin, 4-(2-Mercapto-6-Methoxy-L-Tryptophan)-; Meana
• Molecular Formula: C₄₀H₅₆N₁₀O₁₄S
• Molecular Weight: 933.00
• CAS Registry Number: 21150-19-6
• SMILES: C5=C4C3=C([S](=O)CC1NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)CC(=O)N)CC(O)C2)C(C(O)CO)C)C3)C(CC)C)[NH]C4=CC(=C5)OC
• InChI: 1S/C40H56N10O14S/c1-5-17(2)32-37(60)43-12-30(55)44-26-16-65(63)39-22(21-7-6-20(64-4)9-23(21)47-39)10-24(34(57)42-13-31(56)48-32)45-38(61)33(18(3)28(53)15-51)49-36(59)27-8-19(52)14-50(27)40(62)25(11-29(41)54)46-35(26)58/h6-7,9,17-19,24-28,32-33,47,51-53H,5,8,10-16H2,1-4H3,(H2,41,54)(H,42,57)(H,43,60)(H,44,55)(H,45,61)(H,46,58)(H,48,56)(H,49,59)
• InChIKey: KWVVFUVYNDWIFA-UHFFFAOYSA-N