基本情報
- 標準SMILES
O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1- InChIKey
SUKMVMFONPSNRM-DCMFLLSESA-N- 分子式
- C33H46N2O2
- 平均分子量
- 502.7 g/mol
名称と識別子
- 優先名称
- 2-cyclohexyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acid
- IUPAC
- (2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
名称と別名
CHEMBL102826SCHEMBL7546190SUKMVMFONPSNRM-DCMFLLSESA-NBDBM50119336(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)-1-piperidyl]methyl]pyrrolidin-1-yl]acetic acid(R)-2-Cyclohexyl-{(3S,4S)-3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid2-(r)-(3-(s)-((4-(3-phenylpropyl)piperidin-1-yl)methyl)-4-(s)-phenylpyrrolidin-1-yl)-2-(cyclohexyl)acetic acid2-cyclohexyl-2-{3-phenyl-4-[4-(3-phenylpropyl)hexahydro-1-pyridinylmethyl]tetrahydro-1H-1-pyrrolyl}acetic acidCyclohexyl-{3-phenyl-4-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-acetic acid
データベース識別子
- PubChem CID
- 501055
- ChEMBL
CHEMBL102826- Nikkaji
- J1.804.711J
物性
構造計算による物性
- XLogP
- 5.6
- 極性表面積
- 43.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 10
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 672
関連反応
1 件
化合物ノート
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