S-Deoxy-(gamma-Hydroxy-3-Ile)-Amaninamide
[CAS# 124818-58-2]

Identification

• Name: S-Deoxy-(gamma-Hydroxy-3-Ile)-Amaninamide
• Synonyms: Alpha-Amanitin, 3-((R)-4-Hydroxy-L-Isoleucine)-4-(2-Mercapto-L-Tryptophan)-, S-Deoxide; 3-((R)-4-Hydroxy-L-Isoleucine)-4-(2-Mercapto-L-Tryptophan)-Alpha-Amanitin S-Deoxide; Amaninamide, S-Deoxy-(Gamma-Hydroxy-Ile(3))-
• Molecular Formula: C₃₉H₅₄N₁₀O₁₁S
• Molecular Weight: 870.98
• CAS Registry Number: 124818-58-2
• SMILES: C5=C4C3=C(SCC1NC(=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)C)C)C3)C(CC)C)[NH]C4=CC=C5
• InChI: 1S/C39H54N10O11S/c1-5-17(2)31-36(58)42-13-29(53)43-26-16-61-38-22(21-8-6-7-9-23(21)46-38)11-24(33(55)41-14-30(54)47-31)44-37(59)32(18(3)19(4)50)48-35(57)27-10-20(51)15-49(27)39(60)25(12-28(40)52)45-34(26)56/h6-9,17-20,24-27,31-32,46,50-51H,5,10-16H2,1-4H3,(H2,40,52)(H,41,55)(H,42,58)(H,43,53)(H,44,59)(H,45,56)(H,47,54)(H,48,57)
• InChIKey: GONRAGFRMVYGHB-UHFFFAOYSA-N