C-C-DA-PHE-ACA

Molecular Formula: C₄₀H₅₀N₁₂O₁₉P₂

InChI: InChI=1/C40H50N12O19P2/c1-2-27(54)47-20(12-19-6-4-3-5-7-19)38(57)69-21-13-28(52-18-46-29-34(43)44-17-45-35(29)52)66-23(21)15-64-72(60,61)71-33-24(68-37(31(33)56)51-11-9-26(42)49-40(51)59)16-65-73(62,63)70-32-22(14-53)67-36(30(32)55)50-10-8-25(41)48-39(50)58/h3-11,17-18,20-24,28,30-33,36-37,53,55-56H,2,12-16H2,1H3,(H,47,54)(H,60,61)(H,62,63)(H2,41,48,58)(H2,42,49,59)(H2,43,44,45)/t20-,21-,22+,23+,24+,28+,30+,31+,32+,33+,36+,37+/m0/s1/f/h47,60,62H,41-43H2

InChIKey: InChIKey=USBCLYOJAOVVLI-DOMLOJTNDP
SMILES: CCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2CC(OC2COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=NC6=O)N)CO)N7C=NC8=C7N=CN=C8N

Names:
    C-C-DA-PHE-ACA
    [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxy-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[(2S)-3-phenyl-2-(propanoylamino)propanoyl]oxy-oxolan-2-yl]methoxy]phosphinic acid

Registries:
    PubChem CID 5326854
    PubChem ID 8142658