Rhynchophylline
HIT212664612
sdf文件结构编辑类似物检索
HIT ID: HIT212664612
Cas No: 76-66-4
分子式: C22H28N2O4
分子量: 384.476
常用名: Rhynchophylline
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 2.609464
IUPAC: methyl (2E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxo-1,2,3',5',6',7',8',8'a-octahydro-2'H-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
IUPAC: methyl (2E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxo-1,2,3',5',6',7',8',8'a-octahydro-2'H-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
SMILES: CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31
SMILES: CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31
InChI key: DAXYUDFNWXHGBE-KAXDATADSA-N
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