(2S)-N,N'-Didecyl-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]Pentanediamide
[CAS# 136181-93-6]

Identification

• Name: (2S)-N,N'-Didecyl-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]Pentanediamide
• Synonyms: (2S)-N,N'-Didecyl-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanediamide; (2S)-N,N'-Didecyl-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Pentanediamide; (2S)-N,N'-Didecyl-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Glutaramide
• Molecular Formula: C₄₀H₆₄N₁₀O₃
• Molecular Weight: 733.01
• CAS Registry Number: 136181-93-6
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)NCCCCCCCCCC)CCC(=O)NCCCCCCCCCC
• InChI: 1S/C40H64N10O3/c1-4-6-8-10-12-14-16-18-26-43-34(51)25-24-33(39(53)44-27-19-17-15-13-11-9-7-5-2)47-38(52)30-20-22-32(23-21-30)50(3)29-31-28-45-37-35(46-31)36(41)48-40(42)49-37/h20-23,28,33H,4-19,24-27,29H2,1-3H3,(H,43,51)(H,44,53)(H,47,52)(H4,41,42,45,48,49)/t33-/m0/s1
• InChIKey: JHUNGZQPXRVEDL-XIFFEERXSA-N

Properties

• Density: 1.13g/cm³ (Cal.)