Amaninamide
[CAS# 58311-65-2]

Identification

• Name: Amaninamide
• Synonyms: Alpha-Amanitin, 4-(2-Mercapto-L-Tryptophan)-
• Molecular Formula: C₃₉H₅₄N₁₀O₁₃S
• Molecular Weight: 902.97
• CAS Registry Number: 58311-65-2
• SMILES: C1=CC=CC5=C1C3=C([S](CC4C(NC(C(N2C(CC(C2)O)C(NC(C(NC(C3)C(NCC(NC(C(NCC(N4)=O)=O)C(CC)C)=O)=O)=O)C(C(O)CO)C)=O)=O)CC(=O)N)=O)=O)[NH]5
• InChI: 1S/C39H54N10O13S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-63(62)38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)
• InChIKey: BOHCOUQZNDPURZ-UHFFFAOYSA-N

Properties

• Density: 1.535g/cm³ (Cal.)
• Boiling point: 1580.221°C at 760 mmHg (Cal.)
• Flash point: 909.485°C (Cal.)