[5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[3-(3,4-dihydroxyphenyl)prop-2-enoylsulfanyl]ethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
Molecular Formula:
C30H42N7O19P3S
InChI: InChI=1/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,11,14-15,19,23-25,29,38-39,42-43H,7-10,12-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/f/h32-33,45-46,48,50H,31H2
InChIKey: InChIKey=QHRGJMIMHCLHRG-FQNHOYGRCK
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)O
Names:
[5-(6-aminopurin-9-yl)-2-[[[[3-[2-[2-[3-(3,4-dihydroxyphenyl)prop-2-enoylsulfanyl]ethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
Registries:
PubChem CID 189139
PubChem ID 6591963
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|