JBIR 68
HIT212524252
sdf文件结构编辑类似物检索
HIT ID: HIT212524252
Cas No: 1251752-58-5
分子式: C19H30N2O6
分子量: 382.457
常用名: JBIR 68
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 0.891
IUPAC: 1-[(2R,3R,4S,5R)-5-({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-1,3-diazinane-2,4-dione
IUPAC: 1-[(2R,3R,4S,5R)-5-({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-1,3-diazinane-2,4-dione
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-[#7]-1-[#6]-[#6]-[#6](=O)-[#7]-[#6]-1=O
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-[#7]-1-[#6]-[#6]-[#6](=O)-[#7]-[#6]-1=O
InChI key: QCDIFQVKLAIJTJ-ZGFVZBPKSA-N
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