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AGJ

概要
表記:N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
組成式:C18 H20 N2 O4
電荷:0
化学式量:328.362 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-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
OpenEye OEToolkits2.0.64-[[2-hydroxyethyl(2-phenylethanoyl)amino]methyl]-~{N}-oxidanyl-benzamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=C(Cc1ccccc1)N(Cc2ccc(C(=O)NO)cc2)CCO
InChIInChI1.03InChI=1S/C18H20N2O4/c21-11-10-20(17(22)12-14-4-2-1-3-5-14)13-15-6-8-16(9-7-15)18(23)19-24/h1-9,21,24H,10-13H2,(H,19,23)
InChIKeyInChI1.03GTFAUKGKYICUDS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc2ccccc2
SMILESCACTVS3.385OCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO

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件を2024-07-10に公開中

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