nchembio811-comp12

Molecular Formula: C₂₅H₃₈N₇O₁₇P₃S^-4

InChI: InChI=1/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,18?,19+,20-,24-/m1/s1/fC25H38N7O17P3S/h27-28H,26H2/q-4

InChIKey: InChIKey=CRFNGMNYKDXRTN-HCFYIDHSDR
SMILES: CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O

Names:
    nchembio811-comp12
    (2S)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-N-[2-(2-butanoylsulfanylethylcarbamoyl)ethyl]-2-hydroxy-3,3-dimethyl-butanamide

Registries:
    PubChem CID 6917111
    PubChem ID 12011248