4-(3-(Biotinylaminohexamethylenaminocarbonyl)Propanoylaminomethyl)-2-Methyl-1,3-Dithiolane-2-Yl-(Ala(7))Phalloidin
[CAS# 122856-15-9]

Identification

• Name: 4-(3-(Biotinylaminohexamethylenaminocarbonyl)Propanoylaminomethyl)-2-Methyl-1,3-Dithiolane-2-Yl-(Ala(7))Phalloidin
• Synonyms: Bhpp; Phalloidin, 7-(3-(4-(((4-((6-((5-(Hexahydro-2-Oxo-1H-Thieno(3,4-D)Imidazol-4-Yl)-1-Oxopentyl)Amino)Hexyl)Amino)-1,4-Dioxobutyl)Amino)Methyl)-2-Methyl-1,3-Dithiolan-2-Yl)-L-Alanine)-
• Molecular Formula: C₅₇H₈₃N₁₃O₁₃S₄
• Molecular Weight: 1286.60
• CAS Registry Number: 122856-15-9
• SMILES: C8=C7C3=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)CC4(SC(CS4)CNC(=O)CCC(=O)NCCCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)C)C)C(O)C)[NH]C7=CC=C8
• InChI: 1S/C57H83N13O13S4/c1-29-48(76)63-37-22-35-34-13-7-8-14-36(34)66-54(35)85-28-40(55(82)70-25-32(72)21-41(70)52(80)62-29)65-53(81)46(31(3)71)68-49(77)30(2)61-51(79)38(64-50(37)78)23-57(4)86-26-33(87-57)24-60-45(75)18-17-44(74)59-20-12-6-5-11-19-58-43(73)16-10-9-15-42-47-39(27-84-42)67-56(83)69-47/h7-8,13-14,29-33,37-42,46-47,66,71-72H,5-6,9-12,15-28H2,1-4H3,(H,58,73)(H,59,74)(H,60,75)(H,61,79)(H,62,80)(H,63,76)(H,64,78)(H,65,81)(H,68,77)(H2,67,69,83)
• InChIKey: XZRULFCZVOUHQJ-UHFFFAOYSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 1700.707°C at 760 mmHg (Cal.)
• Flash point: 982.352°C (Cal.)