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X4O

概要
表記:N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
組成式:C16 H15 Br F N3 O3
電荷:0
化学式量:396.211 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-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
OpenEye OEToolkits2.0.7(2~{R})-2-(4-bromophenyl)-2-[2-[(4-fluorophenyl)amino]ethanoylamino]-~{N}-oxidanyl-ethanamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO
InChIInChI1.06InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyInChI1.06VZOVWNGCSCSUGQ-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385ONC(=O)[C@H](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2
SMILESCACTVS3.385ONC(=O)[CH](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1[C@H](C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br

222036

件を2024-07-03に公開中

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