Epelsiban
HIT212671347
sdf文件结构编辑类似物检索
HIT ID: HIT212671347
Cas No: 872599-83-2
分子式: C30H38N4O4
分子量: 518.658
常用名: Epelsiban
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 2.4350863
IUPAC: (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethylpyridin-3-yl)-2-(morpholin-4-yl)-2-oxoethyl]piperazine-2,5-dione
IUPAC: (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethylpyridin-3-yl)-2-(morpholin-4-yl)-2-oxoethyl]piperazine-2,5-dione
SMILES: [H][C@]1([C@@H](C)CC)N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
SMILES: [H][C@]1([C@@H](C)CC)N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
InChI key: UWHCWRQFNKUYCG-QUZACWSFSA-N
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