nchembio811-comp4

Molecular Formula: C₂₇H₄₂N₇O₁₇P₃S^-4

InChI: InChI=1/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20?,21+,22-,26-/m1/s1/fC27H42N7O17P3S/h29-30H,28H2/q-4

InChIKey: InChIKey=OEXFMSFODMQEPE-ONRXMWEIDE
SMILES: CCCCCC(=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-comp4
    (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-hexanoylsulfanylethylcarbamoyl)ethyl]-2-hydroxy-3,3-dimethyl-butanamide

Registries:
    PubChem CID 6917097
    PubChem ID 12011240