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6GA

概要
表記:(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide
組成式:C17 H17 F N2 O3
電荷:0
化学式量:316.327 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide
OpenEye OEToolkits2.0.4(2~{S})-2-[(4-fluorophenyl)methyl]-~{N}-oxidanyl-~{N}'-(phenylmethyl)propanediamide

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(NCc1ccccc1)C(C(=O)NO)Cc2ccc(cc2)F
InChIInChI1.03InChI=1S/C17H17FN2O3/c18-14-8-6-12(7-9-14)10-15(17(22)20-23)16(21)19-11-13-4-2-1-3-5-13/h1-9,15,23H,10-11H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyInChI1.03UBULRDFJXZRBJH-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385ONC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)NCc2ccccc2
SMILESCACTVS3.385ONC(=O)[CH](Cc1ccc(F)cc1)C(=O)NCc2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O)NO
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)CNC(=O)C(Cc2ccc(cc2)F)C(=O)NO

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件を2024-07-10に公開中

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