6-(2-Mercapto-1-Methyl-L-Tryptophan)-Phalloidin
[CAS# 35167-13-6]

Identification

• Name: 6-(2-Mercapto-1-Methyl-L-Tryptophan)-Phalloidin
• Synonyms: N(Sup Ind)-Methylphalloidin; N-Methylphalloidin
• Molecular Formula: C₃₆H₅₀N₈O₁₁S
• Molecular Weight: 802.90
• CAS Registry Number: 35167-13-6
• SMILES: C5=C4C3=C(SCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C1=O)CC(O)C2)C)C3)CC(O)(CO)C)C)C(O)C)[N](C4=CC=C5)C
• InChI: 1S/C36H50N8O11S/c1-16-28(48)39-22-11-21-20-8-6-7-9-25(20)43(5)35(21)56-14-24(34(54)44-13-19(47)10-26(44)32(52)38-16)41-33(53)27(18(3)46)42-29(49)17(2)37-31(51)23(40-30(22)50)12-36(4,55)15-45/h6-9,16-19,22-24,26-27,45-47,55H,10-15H2,1-5H3,(H,37,51)(H,38,52)(H,39,48)(H,40,50)(H,41,53)(H,42,49)
• InChIKey: XHUXYGHEHCWWIN-UHFFFAOYSA-N

Properties

• Density: 1.596g/cm³ (Cal.)
• Boiling point: 1356.083°C at 760 mmHg (Cal.)
• Flash point: 773.931°C (Cal.)