nchembio811-comp16

Molecular Formula: C₂₈H₄₄N₇O₁₇P₃S^-4

InChI: InChI=1/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,21?,22+,23-,27-/m1/s1/fC28H44N7O17P3S/h30-31H,29H2/q-4

InChIKey: InChIKey=CHVYGJMBUXUTSX-SCBPJTKYDN
SMILES: CCCCCCC(=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-comp16
    (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-heptanoylsulfanylethylcarbamoyl)ethyl]-2-hydroxy-3,3-dimethyl-butanamide

Registries:
    PubChem CID 6917115
    PubChem ID 12011252