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0TJ

概要
表記:N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide
組成式:C15 H15 Br4 N3 O3
電荷:0
化学式量:604.914 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-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide
OpenEye OEToolkits2.0.76-[2-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]ethanoylamino]hexanoic acid

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=CCCCCCNC(=O)Cn1c2c(Br)c(Br)c(Br)c(Br)c2nc1
InChIInChI1.06InChI=1S/C15H15Br4N3O3/c16-10-11(17)13(19)15-14(12(10)18)21-7-22(15)6-8(23)20-5-3-1-2-4-9(24)25/h7H,1-6H2,(H,20,23)(H,24,25)
InChIKeyInChI1.06WSKNAZVGFRRIPT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCCCCNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
SMILESCACTVS3.385OC(=O)CCCCCNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1nc2c(n1CC(=O)NCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br
SMILESOpenEye OEToolkits2.0.7c1nc2c(n1CC(=O)NCCCCCC(=O)O)c(c(c(c2Br)Br)Br)Br

222415

件を2024-07-10に公開中

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