[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-(3-phenoxybenzoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
Molecular Formula:
C34H44N7O18P3S
InChI: InChI=1/C34H44N7O18P3S/c1-34(2,28(44)31(45)37-12-11-24(42)36-13-14-63-33(46)20-7-6-10-22(15-20)56-21-8-4-3-5-9-21)17-55-62(52,53)59-61(50,51)54-16-23-27(58-60(47,48)49)26(43)32(57-23)41-19-40-25-29(35)38-18-39-30(25)41/h3-10,15,18-19,23,26-28,32,43-44H,11-14,16-17H2,1-2H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,26-,27-,28+,32-/m1/s1/f/h36-37,47-48,50,52H,35H2
InChIKey: InChIKey=KYFVEPCCDJEYRH-PHSFWTDZDH
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(=CC=C4)OC5=CC=CC=C5)O
Names:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-(3-phenoxybenzoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
Registries:
PubChem CID 196192
PubChem ID 10262136
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