Pipacycline
HIT212039068
sdf文件结构编辑类似物检索
HIT ID: HIT212039068
Cas No: 1110-80-1
分子式: C29H38N4O9
分子量: 586.642
常用名: Pipacycline
氢键受体数 (HBA): 12
氢键供体数 (HBD): 7
LogP: -4.335479
IUPAC: (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC: (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
SMILES: [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O |t:5,27|
SMILES: [H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C)C(=O)c1c(O)cccc1[C@@]3(C)O |t:5,27|
InChI key: XATZHCXBMKRRDO-REHNUXHNSA-N
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