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7TY

概要
表記:6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
組成式:C29 H33 N O5
電荷:0
化学式量:475.576 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.016-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
OpenEye OEToolkits2.0.66-[2-[[cyclopentyl-[4-(furan-3-yl)phenyl]carbonyl-amino]methyl]phenoxy]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
SMILESACDLabs12.01c1c(c(ccc1)OCCCCCC(O)=O)CN(C2CCCC2)C(c4ccc(c3cocc3)cc4)=O
InChIInChI1.03InChI=1S/C29H33NO5/c31-28(32)12-2-1-7-18-35-27-11-6-3-8-24(27)20-30(26-9-4-5-10-26)29(33)23-15-13-22(14-16-23)25-17-19-34-21-25/h3,6,8,11,13-17,19,21,26H,1-2,4-5,7,9-10,12,18,20H2,(H,31,32)
InChIKeyInChI1.03NAVKABWFOLEGSI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3ccc(cc3)c4cocc4
SMILESCACTVS3.385OC(=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3ccc(cc3)c4cocc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O

219869

件を2024-05-15に公開中

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