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HB7

概要
表記:N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide
組成式:C26 H28 N4 O4
電荷:0
化学式量:460.525 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-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide
OpenEye OEToolkits2.0.64-[[[4-(dimethylamino)phenyl]carbonyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]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
SMILESACDLabs12.01c1c(ccc(c1)N(C)C)C(=O)N(Cc2ccc(C(NO)=O)cc2)CC(=O)NCc3ccccc3
InChIInChI1.03InChI=1S/C26H28N4O4/c1-29(2)23-14-12-22(13-15-23)26(33)30(17-20-8-10-21(11-9-20)25(32)28-34)18-24(31)27-16-19-6-4-3-5-7-19/h3-15,34H,16-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyInChI1.03WWCLIIDYSGNTQD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3)C(=O)NO
SMILESCACTVS3.385CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc2ccccc2)Cc3ccc(cc3)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3
SMILESOpenEye OEToolkits2.0.6CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3

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件を2024-07-17に公開中

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