[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(4-methoxy-8-methylidene-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Molecular Formula: C32H43N8O20P3S


InChI: InChI=1/C32H43N8O20P3S/c1-15-28(44)39-21-17(9-16(54-4)10-18(21)57-15)31(46)64-8-7-34-20(41)5-6-35-29(45)25(43)32(2,3)12-56-63(52,53)60-62(50,51)55-11-19-24(59-61(47,48)49)23(42)30(58-19)40-14-38-22-26(33)36-13-37-27(22)40/h9-10,13-14,19,23-25,30,42-43H,1,5-8,11-12H2,2-4H3,(H,34,41)(H,35,45)(H,39,44)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/f/h34-35,39,47-48,50,52H,33H2

InChIKey: InChIKey=TWUWGOHYNMKFRS-MGEKAHGOCL
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)C4=CC(=CC5=C4NC(=O)C(=C)O5)OC)O

Names:
    [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(4-methoxy-8-methylidene-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-triene-2-carbonyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 6125916
    PubChem ID 6611289