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概要配置情報関連するPDBエントリー

EC7

概要
表記:(S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide
組成式:C18 H35 N3 O
電荷:0
化学式量:309.49 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide
OpenEye OEToolkits2.0.6~{N}-(cyclopropylmethyl)-2-(methylamino)-~{N}-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide

化合物記述子（線形表記）

種別プログラムバージョン表記
SMILESACDLabs12.01C(N(C(=O)C(NC)C)CC(C1CCN(C)CC1)(C)C)C2CC2
InChIInChI1.03InChI=1S/C18H35N3O/c1-14(19-4)17(22)21(12-15-6-7-15)13-18(2,3)16-8-10-20(5)11-9-16/h14-16,19H,6-13H2,1-5H3
InChIKeyInChI1.03CNZYFGVSPPVSBV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(C)C(=O)N(CC1CC1)CC(C)(C)C2CCN(C)CC2
SMILESCACTVS3.385CNC(C)C(=O)N(CC1CC1)CC(C)(C)C2CCN(C)CC2
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC
SMILESOpenEye OEToolkits2.0.6CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC

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件を2024-07-10に公開中

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