nchembio811-comp6

Molecular Formula: C₂₉H₄₆N₇O₁₇P₃S^-4

InChI: InChI=1/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,22?,23+,24-,28-/m1/s1/fC29H46N7O17P3S/h31-32H,30H2/q-4

InChIKey: InChIKey=KQMZYOXOBSXMII-BVFRPKIFDI
SMILES: CCCCCCCC(=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-comp6
    (2S)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-N-[2-(2-octanoylsulfanylethylcarbamoyl)ethyl]butanamide

Registries:
    PubChem CID 6917101
    PubChem ID 12011242