[S-(R*,R*)]-N-[3-[[4-[[3-[(2,6-Diamino-1-Oxohexyl)Amino]Propyl]Amino]Butyl]Amino]Propyl]-4-Hydroxy-3,5-Di(Iodo-125I)-alpha-[(1-Oxobutyl)Amino]-Benzenepropanamide
[CAS# 134419-07-1]

Identification

• Name: [S-(R*,R*)]-N-[3-[[4-[[3-[(2,6-Diamino-1-Oxohexyl)Amino]Propyl]Amino]Butyl]Amino]Propyl]-4-Hydroxy-3,5-Di(Iodo-125I)-alpha-[(1-Oxobutyl)Amino]-Benzenepropanamide
• Synonyms: Diiodo-Philanthotoxin-343-Lysine; I-Phtx-343-Lys
• Molecular Formula: C₂₉H₅₁I₂N₇O₄
• Molecular Weight: 815.58
• CAS Registry Number: 134419-07-1
• SMILES: [C@@H](C(=O)NCCCNCCCCNCCCNC([C@H](CCCCN)N)=O)(CC1=CC(=C(C(=C1)[125I])O)[125I])NC(CCC)=O
• InChI: 1S/C29H51I2N7O4/c1-2-9-26(39)38-25(20-21-18-22(30)27(40)23(31)19-21)29(42)37-17-8-15-35-13-6-5-12-34-14-7-16-36-28(41)24(33)10-3-4-11-32/h18-19,24-25,34-35,40H,2-17,20,32-33H2,1H3,(H,36,41)(H,37,42)(H,38,39)/t24-,25-/m0/s1/i30-2,31-2
• InChIKey: XXKIHKWOYBOYNY-RNOIDMDUSA-N

Properties

• Density: 1.469g/cm³ (Cal.)