CAG

Molecular Formula: C₁₈H₂₃N₆O₁₆P₃

InChI: InChI=1/C18H23N6O16P3/c1-8(9-4-2-3-5-10(9)24(28)29)38-42(32,33)40-43(34,35)39-41(30,31)36-6-11-13(25)14(26)17(37-11)23-7-20-12-15(23)21-18(19)22-16(12)27/h2-5,7-8,11,13-14,17,25-26H,6H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H3,19,21,22,27)/t8-,11-,13-,14-,17-/m1/s1/f/h21,30,32,34H,19H2

InChIKey: InChIKey=NYWDUFBXCCSYMK-WBFJSNPODA
SMILES: CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O

Names:
    CAG
    [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[hydroxy-[hydroxy-[(1R)-1-(2-nitrophenyl)ethoxy]phosphoryl]oxy-phosphoryl]oxy-phosphinic acid

Registries:
    PubChem CID 5496555
    PubChem ID 11532421