Alstonidine
HIT212714609
sdf文件结构编辑类似物检索
HIT ID: HIT212714609
Cas No: 25394-75-6
分子式: C22H24N2O4
分子量: 380.444
常用名: Alstonidine
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 2.050553
IUPAC: methyl (2S,3S,4S)-3-(hydroxymethyl)-2-methyl-4-({9-methyl-9H-pyrido[3,4-b]indol-1-yl}methyl)-3,4-dihydro-2H-pyran-5-carboxylate
IUPAC: methyl (2S,3S,4S)-3-(hydroxymethyl)-2-methyl-4-({9-methyl-9H-pyrido[3,4-b]indol-1-yl}methyl)-3,4-dihydro-2H-pyran-5-carboxylate
SMILES: COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 |t:4|
SMILES: COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1Cc1nccc2c3ccccc3n(C)c12 |t:4|
InChI key: ZHSWZGYEMVSUSM-JQFCIGGWSA-N
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