nchembio811-comp9

Molecular Formula: C₃₀H₃₈N₇O₁₈P₃S^-4

InChI: InChI=1/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/b8-5+/t19-,23?,24+,25-,29-/m1/s1/fC30H38N7O18P3S/h32-33H,31H2/q-4

InChIKey: InChIKey=DMZOKBALNZWDKI-AXRNPWFDDJ
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)C=CC4=CC=C(C=C4)O)O

Names:
    nchembio811-comp9
    (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-N-[2-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanylethylcarbamoyl]ethyl]-3,3-dimethyl-butanamide

Registries:
    PubChem CID 6917107
    PubChem ID 12011245