Adenomycin
HIT219251404
sdf文件结构编辑类似物检索
HIT ID: HIT219251404
Cas No: 76174-56-6
分子式: C25H39N7O18S
分子量: 757.68
常用名: Adenomycin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(1R,2R,3S,4S,5S,6R)-2-{[(2S)-2-amino-3-hydroxypropanoyl]oxy}-5-{[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-4,6-dihydroxycyclohexyl]oxidanesulfonic acid
IUPAC: [(1R,2R,3S,4S,5S,6R)-2-{[(2S)-2-amino-3-hydroxypropanoyl]oxy}-5-{[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}-4,6-dihydroxycyclohexyl]oxidanesulfonic acid
SMILES: N[C@@H](CO)C(=O)O[C@@H]1[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2N)[C@@H](O)[C@H]1OS(O)(=O)=O
SMILES: N[C@@H](CO)C(=O)O[C@@H]1[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2N)[C@@H](O)[C@H]1OS(O)(=O)=O
InChI key: UXRHCHSWRDOIED-QVEOBRIHSA-N
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