nchembio811-comp5

Molecular Formula: C₂₄H₃₄N₇O₁₉P₃S^-4

InChI: InChI=1/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/p-4/t12-,17?,18+,19-,23-/m1/s1/fC24H34N7O19P3S/h26-27,33H,25H2/q-4

InChIKey: InChIKey=LTYOQGRJFJAKNA-XOWNOJIWDW
SMILES: CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O

Names:
    nchembio811-comp5
    2-[2-[3-[[(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-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]acetic acid

Registries:
    PubChem CID 6917099
    PubChem ID 12011241