HIV-IN-8
HIT218851542
sdf文件结构编辑类似物检索
HIT ID: HIT218851542
Cas No: 130286-75-8
分子式: C36H30O16
分子量: 718.62
常用名: HIV-IN-8
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R)-2-[(1S,2R)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid
IUPAC: (2R)-2-[(1S,2R)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid
SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)[C@@H]1[C@@H](c2ccc(O)c(O)c2)c2cc(O)c(O)cc2C=C1C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O
SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)[C@@H]1[C@@H](c2ccc(O)c(O)c2)c2cc(O)c(O)cc2C=C1C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(O)=O
InChI key: VKWZFIDWHLCPHJ-ZRTHHSRSSA-N
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