SQ-27986
HIT212718324
sdf文件结构编辑类似物检索
HIT ID: HIT212718324
Cas No: 85923-25-7
分子式: C22H34O4
分子量: 362.51
常用名: SQ-27986
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 4.1913676
IUPAC: (5Z)-7-[(1S,2S,3S,4R)-3-[(1E,3S)-3-cyclohexyl-3-hydroxyprop-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
IUPAC: (5Z)-7-[(1S,2S,3S,4R)-3-[(1E,3S)-3-cyclohexyl-3-hydroxyprop-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
SMILES: [H][C@@]12CC[C@@]([H])(O1)[C@@H](\C=C\[C@@H](O)C1CCCCC1)[C@@H]2C\C=C/CCCC(O)=O
SMILES: [H][C@@]12CC[C@@]([H])(O1)[C@@H](\C=C\[C@@H](O)C1CCCCC1)[C@@H]2C\C=C/CCCC(O)=O
InChI key: CEHGUSRXHYTTPN-ZSMXBAJYSA-N
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