N(alpha)-Dansyl-N(omega)-1,N(6)-etheno-ADP-ribosylarginine methyl ester
[CAS# 104257-22-9]

Identification

• Name: N(alpha)-Dansyl-N(omega)-1,N(6)-etheno-ADP-ribosylarginine methyl ester
• Synonyms: Methyl 5-[[N'-[5-[[[(3,4-Dihydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-2-Yl)Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Hydrazino]Methyleneamino]-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Pentanoate; 5-[[N'-[5-[[[[3,4-Dihydroxy-5-(3-Imidazo[2,1-F]Purinyl)-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Hydrazino]Methyleneamino]-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Pentanoic Acid Methyl Ester; 5-[[N'-[5-[[[(3,4-Dihydroxy-5-Imidazo[2,1-F]Purin-3-Yl-Tetrahydrofuran-2-Yl)Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Hydrazino]Methyleneamino]-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Valeric Acid Methyl Ester
• Molecular Formula: C₃₆H₄₈N₁₀O₁₇P₂S
• Molecular Weight: 986.84
• CAS Registry Number: 104257-22-9
• SMILES: C1=NC6=C([N]1C2OC(C(O)C2O)CO[P](O[P](OCC5OC(NNC=NCCCC(N[S](=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C)C(OC)=O)C(O)C5O)(O)=O)(O)=O)N=C[N]7C6=NC=C7
• InChI: 1S/C36H48N10O17P2S/c1-44(2)23-10-4-8-21-20(23)7-5-11-26(21)66(56,57)43-22(36(51)58-3)9-6-12-37-17-41-42-34-30(49)28(47)24(61-34)15-59-64(52,53)63-65(54,55)60-16-25-29(48)31(50)35(62-25)46-19-39-27-32-38-13-14-45(32)18-40-33(27)46/h4-5,7-8,10-11,13-14,17-19,22,24-25,28-31,34-35,42-43,47-50H,6,9,12,15-16H2,1-3H3,(H,37,41)(H,52,53)(H,54,55)
• InChIKey: VFVXKHQNVAJPJQ-UHFFFAOYSA-N

Properties

• Density: 1.801g/cm³ (Cal.)