Cyclic tri-AMP
HIT218849657
sdf文件结构编辑类似物检索
HIT ID: HIT218849657
Cas No:
分子式: C30H36N15O18P3
分子量: 987.626
常用名: Cyclic tri-AMP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,6R,8R,9R,10S,15R,17R,18R,19S,24R,26R,27R)-8,17,26-tris(6-amino-9H-purin-9-yl)-3,9,12,18,21,27-hexahydroxy-2,4,7,11,13,16,20,22,25-nonaoxa-3lambda5,12lambda5,21lambda5-triphosphatetracyclo[22.3.0.0^{6,10}.0^{15,19}]heptacosane-3,12,21-trione
IUPAC: (1S,6R,8R,9R,10S,15R,17R,18R,19S,24R,26R,27R)-8,17,26-tris(6-amino-9H-purin-9-yl)-3,9,12,18,21,27-hexahydroxy-2,4,7,11,13,16,20,22,25-nonaoxa-3lambda5,12lambda5,21lambda5-triphosphatetracyclo[22.3.0.0^{6,10}.0^{15,19}]heptacosane-3,12,21-trione
SMILES: [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12
SMILES: [H][C@@]12COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]3([H])[C@@H](O)[C@@H](O[C@]3([H])COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12
InChI key: OEJXFVYXZQYNND-UQTMIEBXSA-N
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